Geometry & MOs

Info

ID:	66618
PubChem CID:	46504918
Reduced:	BrSN2O5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	523.0332
ΔH_f, kcal/mol:	-123.5
Dipole, Da:	9.18
IP(EA), eV:	-7.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br)OC

DOS

IR

Vibrations