Geometry & MOs

Info

ID:

44028

PubChem CID:

10323001

Reduced:

SN2O3C28H38 (1)

Stoich.:

AB2C3D28E38 (1)

Weight, g/mol:

482.423614

ΔHf, kcal/mol:

-145.4

Dipole, Da:

3.41

IP(EA), eV:

 -8.4(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)N(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations