Geometry & MOs

Info

ID:	16018
PubChem CID:	457886
Reduced:	O11C17H22 (1)
Stoich.:	A11B17C22 (1)
Weight, g/mol:	402.116212
ΔH_f, kcal/mol:	-466.04
Dipole, Da:	3.37
IP(EA), eV:	-10.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O

DOS

IR

Vibrations