Geometry & MOs

Info

ID:

308629

PubChem CID:

126497185

Reduced:

NC10H19 (1)

Stoich.:

AB10C19 (1)

Weight, g/mol:

656.428819

ΔHf, kcal/mol:

-17.5

Dipole, Da:

1.55

IP(EA), eV:

-8.71(3.15)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3S,4S,6aR,8R,8aR,9R,10R,14bR)-3,8,9,10-tetrahydroxy-4,6a,11,11,14b-pentamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCC1C2(CCC2)CCCN1

DOS

IR

Vibrations