Geometry & MOs

Info

ID:

43416

PubChem CID:

10321260

Reduced:

O3C29H48 (1)

Stoich.:

A3B29C48 (1)

Weight, g/mol:

444.389305

ΔHf, kcal/mol:

-183.21

Dipole, Da:

3.24

IP(EA), eV:

 -9.09(0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,6E,10E,14E)-17-[(2S)-3,3-dimethyloxiran-2-yl]-6,11,15-trimethyl-2-(4-methylpent-3-enyl)-1-tritioheptadeca-2,6,10,14-tetraen-1-ol

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C(=C3C[C@H](C[C@@H](C3)O)O)C4CC4)C

DOS

IR

Vibrations