Geometry & MOs

Info

ID:	128199
PubChem CID:	51034670
Reduced:	ClNO4H24C27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	452.173607
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	2.0
IP(EA), eV:	-9.0(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(3Z)-3-[1-(4-cyanophenyl)-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)Cl)O

DOS

IR

Vibrations