Geometry & MOs

Info

ID:

405572

PubChem CID:

135074476

Reduced:

O8C35H54 (1)

Stoich.:

A8B35C54 (1)

Weight, g/mol:

448.297745

ΔHf, kcal/mol:

-339.3

Dipole, Da:

4.49

IP(EA), eV:

 -9.52(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-ethenyl-14-hydroxy-7,7-dimethyl-16-(2-methylprop-1-enyl)-13-propan-2-yltetracyclo[9.4.4.01,11.03,8]nonadeca-3,13,17-triene-12,15-dione

Drug info:

PubChemData

Smile

C[C@H](CC(=C)/C=C/CC(=C)C)[C@H]([C@@H]([C@@H]1CC[C@@H](O1)CC/C=C/[C@@H]2[C@H](OC(O2)(C)C)/C=C/C=C/C(C)C(=O)O)OCOC)O

DOS

IR

Vibrations