Geometry & MOs

Info

ID:

305325

PubChem CID:

124767999

Reduced:

O3C25H30 (1)

Stoich.:

A3B25C30 (1)

Weight, g/mol:

520.347194

ΔHf, kcal/mol:

-111.09

Dipole, Da:

3.5

IP(EA), eV:

 -9.57(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,10R,13R,14R,17S,18R)-7-(2-chlorophenyl)-2,18-dimethyl-17-[(2S)-6-methylheptan-2-yl]-5-oxapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),6-diene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)[C@@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations