Geometry & MOs

Info

ID:	195185
PubChem CID:	78652019
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	380.026538
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	2.25
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]-2-cyano-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations