Geometry & MOs

Info

ID:	66649
PubChem CID:	46504990
Reduced:	BrSN2O3C20H29 (1)
Stoich.:	ABC2D3E20F29 (1)
Weight, g/mol:	531.08274
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	8.64
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]piperazin-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)S(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C3CC3)Br

DOS

IR

Vibrations