Geometry & MOs

Info

ID:	71855
PubChem CID:	48415541
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	410.09681
ΔH_f, kcal/mol:	31.34
Dipole, Da:	2.66
IP(EA), eV:	-8.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations