Geometry & MOs

Info

ID:

44285

PubChem CID:

10502503

Reduced:

SN3O3C23H27 (1)

Stoich.:

AB3C3D23E27 (1)

Weight, g/mol:

425.238851

ΔHf, kcal/mol:

-67.52

Dipole, Da:

1.7

IP(EA), eV:

 -8.44(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-pyridin-2-ylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1C)NC2=CC=C(C=C2)CN3C(=CN=C3SC)CO

DOS

IR

Vibrations