Geometry & MOs

Info

ID:

43379

PubChem CID:

10321204

Reduced:

NS2O3C24H29 (1)

Stoich.:

AB2C3D24E29 (1)

Weight, g/mol:

443.249415

ΔHf, kcal/mol:

-113.75

Dipole, Da:

4.7

IP(EA), eV:

 -8.54(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8S,9S,10R,13S,14S,17S)-17-(5-ethoxy-1,3-thiazol-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)N(C2CCSCC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations