Geometry & MOs

Info

ID:

51533

PubChem CID:

12014216

Reduced:

SO2N3C14H14 (2)

Stoich.:

AB2C3D14E14 (2)

Weight, g/mol:

736.506675

ΔHf, kcal/mol:

-43.19

Dipole, Da:

2.59

IP(EA), eV:

 -8.75(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)N)COC4=CC(=CC=C4)OCC5=NC6=C(C7=C(S6)CCCC7)C(=O)N5N

DOS

IR

Vibrations