Geometry & MOs

Info

ID:	66679
PubChem CID:	46505053
Reduced:	BrSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	492.03546
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	6.63
IP(EA), eV:	-8.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations