Geometry & MOs

Info

ID:

10296

PubChem CID:

99950

Reduced:

O4C18H29 (2)

Stoich.:

A4B18C29 (2)

Weight, g/mol:

618.413169

ΔHf, kcal/mol:

-406.1

Dipole, Da:

2.83

IP(EA), eV:

 -9.74(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-1,5,6-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C

DOS

IR

Vibrations