Geometry & MOs

Info

ID:	438449
PubChem CID:	135228190
Reduced:	N2P2O8C17H18 (1)
Stoich.:	A2B2C8D17E18 (1)
Weight, g/mol:	380.05384
ΔH_f, kcal/mol:	-380.91
Dipole, Da:	5.45
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-1-phosphono-2-(5-propoxybenzimidazol-1-yl)ethyl]phosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=C3C(=CC=C2)N=CN3CC(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations