Geometry & MOs

Info

ID:	60450
PubChem CID:	26686759
Reduced:	ClN3O5H16C25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	393.081698
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	5.34
IP(EA), eV:	-8.9(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)OC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations