Geometry & MOs

Info

ID:

7616

PubChem CID:

73499

Reduced:

O5C20H34 (1)

Stoich.:

A5B20C34 (1)

Weight, g/mol:

354.240624

ΔHf, kcal/mol:

-192.65

Dipole, Da:

3.48

IP(EA), eV:

 -9.34(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,4R,6S,8S,9S,10S,13S,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CC[C@H]3[C@H]([C@@]2(C[C@H]([C@]4([C@H]1C[C@@H](C4(C)C)O)O)O)C[C@@]3(C)O)O

DOS

IR

Vibrations