Geometry & MOs

Info

ID:	61834
PubChem CID:	26713660
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	430.165935
ΔH_f, kcal/mol:	-163.17
Dipole, Da:	3.43
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C)C

DOS

IR

Vibrations