Geometry & MOs

Info

ID:

160193

PubChem CID:

57304968

Reduced:

ClSN2O4C26H27 (1)

Stoich.:

ABC2D4E26F27 (1)

Weight, g/mol:

356.235145

ΔHf, kcal/mol:

-63.99

Dipole, Da:

3.21

IP(EA), eV:

 -8.44(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9R,10R,13S,14S)-10,13,17-trimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)SC(C(=O)C1=O)C4=CC=C(CC4)OC

DOS

IR

Vibrations