Geometry & MOs

Info

ID:	434454
PubChem CID:	135174970
Reduced:	P2N8O12C21H26 (1)
Stoich.:	A2B8C12D21E26 (1)
Weight, g/mol:	693.062842
ΔH_f, kcal/mol:	-541.98
Dipole, Da:	7.66
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-2-[[[(3R)-2-(5-amino-7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium

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

C1CC(OC1COP(=O)(O)O[C@H]2[C@H](C(OC2COP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)O)N5C=NC6=C5C=CNC6=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

C1CC(OC1COP(=O)(O)O[C@H]2[C@H](C(OC2COP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)O)N5C=NC6=C5C=CNC6=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):