Geometry & MOs

Info

ID:	131645
PubChem CID:	51238111
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	347.080299
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	4.96
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C(COC2=CC=CC=C21)CNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations