Geometry & MOs

Info

ID:	313598
PubChem CID:	126616260
Reduced:	Cl2N2O2F3H27C32 (1)
Stoich.:	A2B2C2D3E27F32 (1)
Weight, g/mol:	517.114624
ΔH_f, kcal/mol:	-171.54
Dipole, Da:	13.59
IP(EA), eV:	-9.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-[3-[2-(4-chlorophenyl)propyl]-2-cyclopropylbenzimidazol-5-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C[C@@H](C)C3=CC=CC=C3)C=C(C=C2)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations