Geometry & MOs

Info

ID:	128693
PubChem CID:	51054267
Reduced:	Cl2O2N3H9C11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-3.63
Dipole, Da:	5.3
IP(EA), eV:	-9.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC(=NO1)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations