Geometry & MOs

Info

ID:

46874

PubChem CID:

10528049

Reduced:

SN2O3C27H30 (1)

Stoich.:

AB2C3D27E30 (1)

Weight, g/mol:

462.316536

ΔHf, kcal/mol:

-44.25

Dipole, Da:

5.58

IP(EA), eV:

 -8.03(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9S,10S,13S,14S,17S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-17-hydroxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C/C=C\1/CN([C@H]2C[C@@H]1[C@H](C3=C2N(C4=CC=CC=C43)C)C(=O)OC)CC[S@@](=O)C5=CC=CC=C5

DOS

IR

Vibrations