Geometry & MOs

Info

ID:	66713
PubChem CID:	46505121
Reduced:	BrSN2O3C17H23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	477.07218
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	8.5
IP(EA), eV:	-8.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=C(C=C3CC(N(C3=C2)C(=O)C)C)Br

DOS

IR

Vibrations