Geometry & MOs

Info

ID:

214566

PubChem CID:

85083204

Reduced:

F3O6C30H37 (1)

Stoich.:

A3B6C30D37 (1)

Weight, g/mol:

550.256668

ΔHf, kcal/mol:

-356.42

Dipole, Da:

6.51

IP(EA), eV:

 -9.5(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9,10-diacetyloxy-2-hydroxy-8,12,15-trimethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1C(C=C2C(=O)C3C(O3)(CCC=C(CCC1(C2(C)O)C)C)C)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC

DOS

IR

Vibrations