Geometry & MOs

Info

ID:	434146
PubChem CID:	135174309
Reduced:	P2N8O11C21H26 (1)
Stoich.:	A2B8C11D21E26 (1)
Weight, g/mol:	730.051823
ΔH_f, kcal/mol:	-497.3
Dipole, Da:	3.53
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[3-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4,4-difluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(dihydroxyphosphinothioyloxymethyl)-4-fluorooxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

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]2CC(OC2COP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)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]2CC(OC2COP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)N5C=NC6=C5C=CNC6=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):