Geometry & MOs

Info

ID:	313606
PubChem CID:	126616326
Reduced:	ClNOH14C15 (2)
Stoich.:	ABCD14E15 (2)
Weight, g/mol:	659.141233
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	1.38
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H](CNC1=C(C=CC(=C1)C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C(=O)OC)N)C4=CC=CC=C4

DOS

IR

Vibrations