Geometry & MOs

Info

ID:	268379
PubChem CID:	103599171
Reduced:	FN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	383.080299
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	3.54
IP(EA), eV:	-9.41(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methylsulfonylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=CC=C2)C(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations