Geometry & MOs

Info

ID:	313599
PubChem CID:	126616262
Reduced:	SCl2N3H25C29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	498.126569
ΔH_f, kcal/mol:	117.99
Dipole, Da:	3.42
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC(CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)C4=NC=CS4)N=C1C5CC5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations