Geometry & MOs

Info

ID:

45012

PubChem CID:

10507167

Reduced:

SF3O5H17C19 (1)

Stoich.:

AB3C5D17E19 (1)

Weight, g/mol:

564.367088

ΔHf, kcal/mol:

-293.58

Dipole, Da:

2.6

IP(EA), eV:

 -9.88(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbothioylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(C1=CC=CC=C1)(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations