Geometry & MOs

Info

ID:	68494
PubChem CID:	46508521
Reduced:	SN3O4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-178.71
Dipole, Da:	6.83
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methyl-5-methylsulfonylanilino)ethanone

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CC(OC(C3)C)C

DOS

IR

Vibrations