Geometry & MOs

Info

ID:	165226
PubChem CID:	74519779
Reduced:	N2F4O4H14C19 (1)
Stoich.:	A2B4C4D14E19 (1)
Weight, g/mol:	431.103669
ΔH_f, kcal/mol:	-281.47
Dipole, Da:	4.6
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-[2-cyano-3-(3-methoxyanilino)-3-oxoprop-1-enyl]phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=C(C=C(C=C2)OC(F)F)OC(F)F)C#N

DOS

IR

Vibrations