Geometry & MOs

Info

ID:	438383
PubChem CID:	135228119
Reduced:	N2P2O8C11H16 (1)
Stoich.:	A2B2C8D11E16 (1)
Weight, g/mol:	338.006889
ΔH_f, kcal/mol:	-406.8
Dipole, Da:	3.9
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-2-(5-hydroxybenzimidazol-1-yl)-1-phosphonoethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N(C=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations