Geometry & MOs

Info

ID:	177945
PubChem CID:	76255212
Reduced:	N2S2O3C24H26 (1)
Stoich.:	A2B2C3D24E26 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	6.77
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C=CC3=CC=C(C=C3)NS(=O)(=O)C

DOS

IR

Vibrations