Geometry & MOs

Info

ID:	438393
PubChem CID:	135228129
Reduced:	N2P2O9C17H18 (1)
Stoich.:	A2B2C9D17E18 (1)
Weight, g/mol:	456.048754
ΔH_f, kcal/mol:	-417.26
Dipole, Da:	7.38
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-2-(4-phenylmethoxycarbonylbenzimidazol-1-yl)-1-phosphonoethyl]phosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=C3C(=CC=C2)N=CN3CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations