Geometry & MOs

Info

ID:	395566
PubChem CID:	135025858
Reduced:	NSO3C25H25 (1)
Stoich.:	ABC3D25E25 (1)
Weight, g/mol:	329.108565
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	5.99
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(benzenesulfonylmethyl)-1,3,5-trimethylindol-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)[C@]2(C)CS(=O)(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations