Geometry & MOs

Info

ID:	413028
PubChem CID:	135085972
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	5.64
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-hydroxy-8-oxo-8-phenylmethoxyoct-6-enoic acid

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations