Geometry & MOs

Info

ID:	438448
PubChem CID:	135228189
Reduced:	N2P2O8C17H18 (1)
Stoich.:	A2B2C8D17E18 (1)
Weight, g/mol:	440.05384
ΔH_f, kcal/mol:	-380.67
Dipole, Da:	6.66
IP(EA), eV:	-9.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(7-phenylmethoxycarbonylbenzimidazol-1-yl)-1-phosphonoethyl]phosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=C3C(=CC=C2)N(C=N3)CC(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations