Geometry & MOs

Info

ID:	66620
PubChem CID:	46504922
Reduced:	BrClSN3O5H21C27 (1)
Stoich.:	ABCD3E5F21G27 (1)
Weight, g/mol:	452.07693
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	10.53
IP(EA), eV:	-8.48(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br)N5C(=O)C6=C(C5=O)C=C(C=C6)Cl

DOS

IR

Vibrations