Geometry & MOs

Info

ID:

150647

PubChem CID:

53790341

Reduced:

O5C29H44 (1)

Stoich.:

A5B29C44 (1)

Weight, g/mol:

472.318875

ΔHf, kcal/mol:

-244.36

Dipole, Da:

4.4

IP(EA), eV:

 -8.55(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3R)-6-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhepta-4,6-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(C=CC(=C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3CC(CC(C3)O)O)C)O

DOS

IR

Vibrations