Geometry & MOs

Info

ID:	438451
PubChem CID:	135228192
Reduced:	N2P2O8C13H20 (1)
Stoich.:	A2B2C8D13E20 (1)
Weight, g/mol:	408.08514
ΔH_f, kcal/mol:	-415.02
Dipole, Da:	3.81
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C=C1)N(C=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations