Geometry & MOs

Info

ID:	62175
PubChem CID:	26717874
Reduced:	ClFNO3C19H21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	456.133063
ΔH_f, kcal/mol:	-145.75
Dipole, Da:	3.8
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]-N-[4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=C(C=C2)C)F)OC

DOS

IR

Vibrations