Geometry & MOs

Info

ID:	128185
PubChem CID:	51034210
Reduced:	ClNF3O3H19C30 (1)
Stoich.:	ABC3D3E19F30 (1)
Weight, g/mol:	567.126912
ΔH_f, kcal/mol:	-174.23
Dipole, Da:	5.71
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3E)-3-[[3,5-bis(trifluoromethyl)phenyl]-phenylmethylidene]-2-oxoindol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\2/C3=CC=CC=C3N(C2=O)CC4=CC(=CC=C4)C(=O)O)/C5=C(C=CC(=C5)C(F)(F)F)Cl

DOS

IR

Vibrations