Geometry & MOs

Info

ID:	61880
PubChem CID:	26715376
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	424.085971
ΔH_f, kcal/mol:	-90.12
Dipole, Da:	7.92
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations