Geometry & MOs

Info

ID:	216363
PubChem CID:	85086097
Reduced:	OSC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	259.064471
ΔH_f, kcal/mol:	-21.32
Dipole, Da:	3.2
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoroanilino)methylidene]-4-oxocyclohexa-1,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC(CO)C2=CC=CC=C2)C

DOS

IR

Vibrations