Geometry & MOs

Info

ID:

162522

PubChem CID:

57394937

Reduced:

O4C25H48 (1)

Stoich.:

A4B25C48 (1)

Weight, g/mol:

767.439718

ΔHf, kcal/mol:

-280.71

Dipole, Da:

3.02

IP(EA), eV:

-9.84(0.47)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-piperidin-1-ylbutyl (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)C(C)(C)[C@H](COC(=O)C)O

DOS

IR

Vibrations