Geometry & MOs

Info

ID:	195549
PubChem CID:	78699188
Reduced:	FSN3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	347.076928
ΔH_f, kcal/mol:	74.34
Dipole, Da:	2.03
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(difluoromethoxy)-3-methoxyphenyl]-2-(4-fluorobenzoyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=NNC1=NC(=CS1)C2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations