Geometry & MOs

Info

ID:

177257

PubChem CID:

76155385

Reduced:

OC8H12 (3)

Stoich.:

AB8C12 (3)

Weight, g/mol:

1486.686275

ΔHf, kcal/mol:

-100.23

Dipole, Da:

4.21

IP(EA), eV:

-9.07(0.03)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

benzyl 10-[3-[3,5-diacetyloxy-6-methyl-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CCCCC=CC#CC#CCCCCCCCCC1CC(OC1=O)COC

DOS

IR

Vibrations