Geometry & MOs

Info

ID:	392724
PubChem CID:	135017746
Reduced:	SN2O4H24C27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	458.130028
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	6.93
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-(2-oxopropyl)-1H-indol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@]4(C(=O)C5=CC=CC=C5N4)C(C)(C)C=O

DOS

IR

Vibrations