Geometry & MOs

Info

ID:

303714

PubChem CID:

124490090

Reduced:

SN3O4C13H21 (1)

Stoich.:

AB3C4D13E21 (1)

Weight, g/mol:

470.249081

ΔHf, kcal/mol:

-172.64

Dipole, Da:

5.41

IP(EA), eV:

 -9.4(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)N[C@H]1[C@H]2N(C1=O)[C@@H](C(S2)(C)C)C(=O)O

DOS

IR

Vibrations