Geometry & MOs

Info

ID:

127558

PubChem CID:

51006022

Reduced:

O7C24H30 (1)

Stoich.:

A7B24C30 (1)

Weight, g/mol:

406.271924

ΔHf, kcal/mol:

-246.73

Dipole, Da:

4.28

IP(EA), eV:

 -9.6(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,6S,7S,10S,12S,14R)-10-(methoxymethoxy)-4,4,7,18,18-pentamethyl-11-methylidene-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadecan-15-one

Drug info:

PubChemData

Smile

CC(=CCOC(=O)[C@@H]1[C@H]2[C@]3([C@H]4[C@H](O4)[C@H]([C@@]2([C@@H]5[C@]16CC(=C)[C@@](C6)(CC5)O)OC3=O)O)C)C

DOS

IR

Vibrations