Geometry & MOs

Info

ID:	140464
PubChem CID:	52702870
Reduced:	SCl2N2O3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	426.057169
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	7.0
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)N(C)C)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations