Geometry & MOs

Info

ID:

7097

PubChem CID:

71206

Reduced:

O8C41H64 (1)

Stoich.:

A8B41C64 (1)

Weight, g/mol:

684.460119

ΔHf, kcal/mol:

-411.43

Dipole, Da:

10.92

IP(EA), eV:

 -9.68(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-2-oxoethyl] octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O

DOS

IR

Vibrations