Geometry & MOs

Info

ID:	66737
PubChem CID:	46505168
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	495.04635
ΔH_f, kcal/mol:	-126.27
Dipole, Da:	8.23
IP(EA), eV:	-8.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NS(=O)(=O)C2=C(C=C3CC(N(C3=C2)C(=O)C)C)Br

DOS

IR

Vibrations