Geometry & MOs

Info

ID:	57844
PubChem CID:	24277702
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	283.084458
ΔH_f, kcal/mol:	-51.66
Dipole, Da:	1.84
IP(EA), eV:	-8.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-oxo-1,3-dihydroindol-6-yl)oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C3=C(C4(O2)CCCCC4)SC(=N3)N

DOS

IR

Vibrations