Geometry & MOs

Info

ID:

44604

PubChem CID:

10504339

Reduced:

O2C15H20 (2)

Stoich.:

A2B15C20 (2)

Weight, g/mol:

464.332187

ΔHf, kcal/mol:

-144.68

Dipole, Da:

6.55

IP(EA), eV:

-8.7(-0.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,3R,7S,9S,10R,12S,13S,14R)-9-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-13-methoxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.03,7]pentadec-4-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC/C=C(\C)/C2=CC(=O)C(O2)(C)C)/C)/C

DOS

IR

Vibrations