Geometry & MOs

Info

ID:	17496
PubChem CID:	501528
Reduced:	P3N5C12O14H18 (1)
Stoich.:	A3B5C12D14E18 (1)
Weight, g/mol:	549.006311
ΔH_f, kcal/mol:	-741.73
Dipole, Da:	6.94
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S,4R,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono 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

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)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

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):