Geometry & MOs

Info

ID:	61883
PubChem CID:	26715401
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	418.036576
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	6.81
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)CC=C)OC

DOS

IR

Vibrations