Geometry & MOs

Info

ID:	178596
PubChem CID:	76353987
Reduced:	SO2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	408.127441
ΔH_f, kcal/mol:	41.29
Dipole, Da:	5.39
IP(EA), eV:	-8.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=NN2C)OCC(=O)NN=C3N(C4=CC=CC=C4S3)C)C

DOS

IR

Vibrations