Geometry & MOs

Info

ID:	176940
PubChem CID:	76114977
Reduced:	OC12H19 (2)
Stoich.:	AB12C19 (2)
Weight, g/mol:	549.076338
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	1.34
IP(EA), eV:	-8.99(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1CCC2C(=CCC3C2(CCCC3(C)COC(=O)C(=C)C)C)C1

DOS

IR

Vibrations