Geometry & MOs

Info

ID:

32237

PubChem CID:

6436056

Reduced:

O5C23H40 (1)

Stoich.:

A5B23C40 (1)

Weight, g/mol:

558.407296

ΔHf, kcal/mol:

-274.27

Dipole, Da:

2.2

IP(EA), eV:

 -9.97(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate

Drug info:

PubChemData

Smile

CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(C2)CCOCC(=O)OC)O)O

DOS

IR

Vibrations