Geometry & MOs

Info

ID:	128198
PubChem CID:	51034669
Reduced:	NF3O3H24C28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	461.139386
ΔH_f, kcal/mol:	-213.6
Dipole, Da:	2.23
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(3Z)-3-[1-(4-chlorophenyl)-2-hydroxy-2-methylpropylidene]-2-oxoindol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)/C(=C\1/C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)C(=O)OC)/C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations