Geometry & MOs

Info

ID:

43221

PubChem CID:

10319828

Reduced:

NOC17H34 (1)

Stoich.:

ABC17D34 (1)

Weight, g/mol:

417.36068

ΔHf, kcal/mol:

-67.58

Dipole, Da:

4.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750927

Charge, e:

 0

Chem-info

IUPAC name:

(3S,10S,13S,17R)-17-[(1S)-1-hydroxy-1-piperidin-2-ylpropan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1(CCC(=O)C1)C

DOS

IR

Vibrations