Geometry & MOs

Info

ID:	181994
PubChem CID:	76823950
Reduced:	FNSO5H20C21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	325.146664
ΔH_f, kcal/mol:	-205.79
Dipole, Da:	9.92
IP(EA), eV:	-8.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(N-phenylanilino)ethylidene]-3H-inden-1-one

Drug info:

PubChemData

Smile

CC1C2=C(C=CC(=C2)CCCOS(=O)(=O)C)C(=C3C4=C(C=CC(=C4)F)NC3=O)O1

DOS

IR

Vibrations