Geometry & MOs

Info

ID:	175057
PubChem CID:	75850005
Reduced:	FO2S2N3C23H24 (1)
Stoich.:	AB2C2D3E23F24 (1)
Weight, g/mol:	345.06242
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	7.03
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-[2,4-bis(difluoromethoxy)phenyl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C3C(S2)NC(NC3=O)CSC4=CC=CC=C4F)C)C

DOS

IR

Vibrations