Geometry & MOs

Info

ID:

182976

PubChem CID:

76965335

Reduced:

O6C43H82 (2)

Stoich.:

A6B43C82 (2)

Weight, g/mol:

244.094688

ΔHf, kcal/mol:

-909.44

Dipole, Da:

2.6

IP(EA), eV:

 -10.69(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,4S,5R,6S)-2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCC)OC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations