Geometry & MOs

Info

ID:	200037
PubChem CID:	79335849
Reduced:	BrN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	259.006992
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	3.14
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC(CN(C)C1=C(C=C2C(C(=O)NC2=C1)O)Br)O

DOS

IR

Vibrations