Geometry & MOs

Info

ID:	66693
PubChem CID:	46505073
Reduced:	BrSN3O3C20H28 (1)
Stoich.:	ABC3D3E20F28 (1)
Weight, g/mol:	532.11437
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	10.08
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCNS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations