Geometry & MOs

Info

ID:	195181
PubChem CID:	78651666
Reduced:	OSCl2N2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	328.077869
ΔH_f, kcal/mol:	29.87
Dipole, Da:	5.84
IP(EA), eV:	-9.1(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations