Geometry & MOs

Info

ID:	320553
PubChem CID:	126661725
Reduced:	NOSC23H27 (1)
Stoich.:	ABCD23E27 (1)
Weight, g/mol:	328.13872
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	4.81
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-[5-fluoro-3-(2-fluoropyridin-4-yl)-2-methylphenyl]ethylidene]piperidin-2-one

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)C(=C)S/C=C(\C)/C(=O)NC2=CC=CC=C2C)C

DOS

IR

Vibrations