Geometry & MOs

Info

ID:	173879
PubChem CID:	75692533
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	314.086684
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	6.9
IP(EA), eV:	-9.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(2,5-difluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C

DOS

IR

Vibrations