Geometry & MOs

Info

ID:

158976

PubChem CID:

57244337

Reduced:

ClN2O3H11C14 (1)

Stoich.:

AB2C3D11E14 (1)

Weight, g/mol:

910.777812

ΔHf, kcal/mol:

-88.65

Dipole, Da:

6.2

IP(EA), eV:

 -8.85(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,5-bis[[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-4-(hydroxymethyl)phenyl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=O)NC2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations