Geometry & MOs

Info

ID:	438455
PubChem CID:	135228196
Reduced:	P2N3C6O6H9 (1)
Stoich.:	A2B3C6D6E9 (1)
Weight, g/mol:	440.057211
ΔH_f, kcal/mol:	-249.78
Dipole, Da:	0.96
IP(EA), eV:	-8.92(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NC(P(=O)(N=O)O)P(=O)(O)O

DOS

IR

Vibrations