Geometry & MOs

Info

ID:

215125

PubChem CID:

85084195

Reduced:

O8C17H22 (2)

Stoich.:

A8B17C22 (2)

Weight, g/mol:

354.131468

ΔHf, kcal/mol:

-604.6

Dipole, Da:

3.74

IP(EA), eV:

 -9.0(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6,8-dihydroxy-3,7,11-trimethyl-4,13-dioxo-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-2-carboxylate

Drug info:

PubChemData

Smile

CC12CCC3(C1(CC(=O)O2)C(C4(C3(C(OC4=O)O)C)C)C(=O)OC)O.CC12CCC3(C1(CC(=O)O2)C(C4(C3(C(OC4=O)O)C)C)C(=O)OC)O

DOS

IR

Vibrations