Geometry & MOs

Info

ID:	438446
PubChem CID:	135228187
Reduced:	N2P2O8C17H18 (1)
Stoich.:	A2B2C8D17E18 (1)
Weight, g/mol:	440.05384
ΔH_f, kcal/mol:	-380.53
Dipole, Da:	5.0
IP(EA), eV:	-9.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[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(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations