Geometry & MOs

Info

ID:	179192
PubChem CID:	76448269
Reduced:	NO3C20H39 (1)
Stoich.:	AB3C20D39 (1)
Weight, g/mol:	340.115818
ΔH_f, kcal/mol:	-202.41
Dipole, Da:	6.6
IP(EA), eV:	-10.27(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC1COC(=O)N1

DOS

IR

Vibrations