Geometry & MOs

Info

ID:	66710
PubChem CID:	46505109
Reduced:	BrSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	472.06676
ΔH_f, kcal/mol:	-90.73
Dipole, Da:	8.68
IP(EA), eV:	-8.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-6-yl)sulfonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=C3CC(N(C3=C2)C(=O)C)C)Br

DOS

IR

Vibrations