Geometry & MOs

Info

ID:	172541
PubChem CID:	75523120
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	302.083747
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	4.74
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC(=C1)CC(=O)N2C(CN(CC2C)C)C

DOS

IR

Vibrations