Geometry & MOs

Info

ID:	66657
PubChem CID:	46505009
Reduced:	BrSN2O3C19H25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	484.06676
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	8.3
IP(EA), eV:	-8.82(-0.73)
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-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCC1NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations