Geometry & MOs

Info

ID:	66668
PubChem CID:	46505037
Reduced:	BrSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	517.10348
ΔH_f, kcal/mol:	-51.36
Dipole, Da:	9.02
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-6-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations