Geometry & MOs

Info

ID:	140463
PubChem CID:	52702492
Reduced:	SN2O2H22C27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	426.057169
ΔH_f, kcal/mol:	5.12
Dipole, Da:	8.43
IP(EA), eV:	-8.61(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dichlorophenyl)-N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations