Geometry & MOs

Info

ID:	438390
PubChem CID:	135228126
Reduced:	N2P2O6C13H20 (1)
Stoich.:	A2B2C6D13E20 (1)
Weight, g/mol:	456.048754
ΔH_f, kcal/mol:	-325.85
Dipole, Da:	6.59
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC#CC1=CC(=NC=C1)NC(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations