Geometry & MOs

Info

ID:	405673
PubChem CID:	135074930
Reduced:	N2O4C19H21 (1)
Stoich.:	A2B4C19D21 (1)
Weight, g/mol:	413.089721
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889088
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(4-fluorophenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)O/C(=C/[N+]#N)/O

DOS

IR

Vibrations