Geometry & MOs

Info

ID:

191652

PubChem CID:

78172960

Reduced:

O10C83H146 (1)

Stoich.:

A10B83C146 (1)

Weight, g/mol:

310.105253

ΔHf, kcal/mol:

-734.8

Dipole, Da:

2.94

IP(EA), eV:

 -9.15(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-acetyl-1,2'-dihydroxy-2'-methylspiro[3,4,4a,7a-tetrahydro-1H-cyclopenta[c]pyran-7,5'-furan]-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC6C(C(C(CO6)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)C)C)C

DOS

IR

Vibrations