Geometry & MOs

Info

ID:	200035
PubChem CID:	79335812
Reduced:	BrNO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	300.94083
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	4.41
IP(EA), eV:	-9.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(2-hydroxyethylsulfanyl)-1H-indole-2,3-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CCO)[N+](=O)[O-])Br

DOS

IR

Vibrations