Geometry & MOs

Info

ID:	66639
PubChem CID:	46504967
Reduced:	BrSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	489.07218
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	9.11
IP(EA), eV:	-8.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations