Geometry & MOs

Info

ID:	438445
PubChem CID:	135228186
Reduced:	ClFO2N6H24C25 (1)
Stoich.:	ABC2D6E24F25 (1)
Weight, g/mol:	440.05384
ΔH_f, kcal/mol:	29.15
Dipole, Da:	4.85
IP(EA), eV:	-9.53(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C5=N[C@H](CO5)C(=C)/C=C\C(=C/C)\F

DOS

IR

Vibrations