Geometry & MOs

Info

ID:	337238
PubChem CID:	127256803
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	301.092578
ΔH_f, kcal/mol:	39.15
Dipole, Da:	2.78
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(ethoxymethylidene)-3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)/C(=C\SC)/C2=CC=CC=C2

DOS

IR

Vibrations