Geometry & MOs

Info

ID:	381901
PubChem CID:	134972763
Reduced:	OS2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	338.079038
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	1.63
IP(EA), eV:	-8.69(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC)[C@@]2(CCC3(C2(C)C)SCCS3)C

DOS

IR

Vibrations