Geometry & MOs

Info

ID:	384217
PubChem CID:	134976550
Reduced:	S2P3N5C10O10H12 (1)
Stoich.:	A2B3C5D10E10F12 (1)
Weight, g/mol:	1194.39144
ΔH_f, kcal/mol:	-404.92
Dipole, Da:	6.14
IP(EA), eV:	-9.21(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=S)(OP(=O)([O-])OP(=O)([O-])[O-])[S-])O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=S)(OP(=O)([O-])OP(=O)([O-])[O-])[S-])O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):