Geometry & MOs

Info

ID:	384901
PubChem CID:	134977901
Reduced:	P3N4C8H12O13 (1)
Stoich.:	A3B4C8D12E13 (1)
Weight, g/mol:	176.065972
ΔH_f, kcal/mol:	-535.64
Dipole, Da:	8.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.788047
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(N=N2)C(=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O

DOS

IR

Vibrations