Geometry & MOs

Info

ID:	11852
PubChem CID:	122002
Reduced:	PN8O10C19H25 (1)
Stoich.:	AB8C10D19E25 (1)
Weight, g/mol:	556.143126
ΔH_f, kcal/mol:	-415.34
Dipole, Da:	13.42
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

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](OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OC4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)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](OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OC4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):