Geometry & MOs

Info

ID:	170671
PubChem CID:	75266571
Reduced:	NSO2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	254.066697
ΔH_f, kcal/mol:	-104.44
Dipole, Da:	5.79
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyanophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCS(=O)(=O)C1)ON=CC2=CC=CS2

DOS

IR

Vibrations