Geometry & MOs

Info

ID:	363660
PubChem CID:	127312366
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-142.43
Dipole, Da:	8.44
IP(EA), eV:	-8.83(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-2,3-dihydroindol-1-yl)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(CN1CCC2=CC=CC=C2C1)NC(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations