Geometry & MOs

Info

ID:	444602
PubChem CID:	135263009
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-48.12
Dipole, Da:	3.12
IP(EA), eV:	-8.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1,3-dimethyl-2-oxoindol-5-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)/C=N/S(=O)C(C)(C)C

DOS

IR

Vibrations