Geometry & MOs

Info

ID:	313596
PubChem CID:	126616229
Reduced:	OSCl2N3H23C27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	507.057503
ΔH_f, kcal/mol:	55.58
Dipole, Da:	2.36
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-chlorophenyl)-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]benzimidazole-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC(C3=CC=C(C=C3)Cl)O)C=C(C=C2)C(C4=CC=C(C=C4)Cl)C5=NC=CS5

DOS

IR

Vibrations