Geometry & MOs

Info

ID:	66686
PubChem CID:	46505062
Reduced:	BrSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	469.10348
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	9.36
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations