Geometry & MOs

Info

ID:	66631
PubChem CID:	46504950
Reduced:	BrSN2O5C21H21 (1)
Stoich.:	ABC2D5E21F21 (1)
Weight, g/mol:	484.06676
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	10.18
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations