Geometry & MOs

Info

ID:

449966

PubChem CID:

135302864

Reduced:

FON6H21C22 (1)

Stoich.:

ABC6D21E22 (1)

Weight, g/mol:

454.275296

ΔHf, kcal/mol:

32.98

Dipole, Da:

2.3

IP(EA), eV:

 -8.56(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2([C@H]1C(=O)NCC3=C(C=C(C=C3)C#N)F)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations