Geometry & MOs

Info

ID:	438391
PubChem CID:	135228127
Reduced:	N2P2O9C17H18 (1)
Stoich.:	A2B2C9D17E18 (1)
Weight, g/mol:	456.048754
ΔH_f, kcal/mol:	-412.24
Dipole, Da:	4.31
IP(EA), eV:	-9.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-2-(6-phenylmethoxycarbonylbenzimidazol-1-yl)-1-phosphonoethyl]phosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)N(C=N3)CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations