Geometry & MOs

Info

ID:	313604
PubChem CID:	126616283
Reduced:	SCl2F3N3O3H28C30 (1)
Stoich.:	AB2C3D3E3F28G30 (1)
Weight, g/mol:	456.117546
ΔH_f, kcal/mol:	-209.35
Dipole, Da:	3.29
IP(EA), eV:	-9.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-[2-cyclopropyl-3-(pyridin-2-ylmethyl)benzimidazol-5-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NC3=C(N2C4CCN(CC4)S(=O)(=O)C(F)(F)F)C=C(C=C3)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations