Geometry & MOs

Info

ID:	66684
PubChem CID:	46505060
Reduced:	BrSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	483.11913
ΔH_f, kcal/mol:	-52.52
Dipole, Da:	8.83
IP(EA), eV:	-8.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCNS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C3CC3)Br)C4=CC=CC=C4

DOS

IR

Vibrations