Geometry & MOs

Info

ID:	71846
PubChem CID:	48415532
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	396.107854
ΔH_f, kcal/mol:	-39.17
Dipole, Da:	6.04
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations