Geometry & MOs

Info

ID:

2105

PubChem CID:

5833

Reduced:

SO4C24H32 (1)

Stoich.:

AB4C24D32 (1)

Weight, g/mol:

416.202131

ΔHf, kcal/mol:

-200.7

Dipole, Da:

2.5

IP(EA), eV:

 -9.68(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C

DOS

IR

Vibrations