Geometry & MOs

Info

ID:

17457

PubChem CID:

499585

Reduced:

SO9C44H62 (1)

Stoich.:

AB9C44D62 (1)

Weight, g/mol:

766.411455

ΔHf, kcal/mol:

-429.21

Dipole, Da:

1.74

IP(EA), eV:

 -8.14(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis(2-ethoxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) sulfite;ethyl acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4OS(=O)OC5CCC6C5(CCC7C6CCC8=CC(=C(C=C78)OCC)O)C)C)O.CCOC(=O)C

DOS

IR

Vibrations