Geometry & MOs

Info

ID:	66653
PubChem CID:	46505003
Reduced:	BrSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	470.05111
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	7.99
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations