Geometry & MOs

Info

ID:	66675
PubChem CID:	46505047
Reduced:	BrSN3O4C23H24 (1)
Stoich.:	ABC3D4E23F24 (1)
Weight, g/mol:	412.04563
ΔH_f, kcal/mol:	-117.6
Dipole, Da:	5.33
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-cyclopropylmethanone

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5)Br

DOS

IR

Vibrations