Geometry & MOs

Info

ID:	66641
PubChem CID:	46504972
Reduced:	BrSN3O3C22H30 (1)
Stoich.:	ABC3D3E22F30 (1)
Weight, g/mol:	537.04885
ΔH_f, kcal/mol:	-91.09
Dipole, Da:	7.22
IP(EA), eV:	-8.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C5CC5)Br

DOS

IR

Vibrations