Geometry & MOs

Info

ID:

134250

PubChem CID:

51669087

Reduced:

N2O2S2C19H22 (1)

Stoich.:

A2B2C2D19E22 (1)

Weight, g/mol:

411.144162

ΔHf, kcal/mol:

-3.56

Dipole, Da:

7.26

IP(EA), eV:

 -8.36(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(6S,8S,9R,10S,11S,13S,14R,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate

Drug info:

PubChemData

Smile

CN1[C@H](N(C(=S)S[C@@H]1C2=CC=C(C=C2)OC)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations