Geometry & MOs

Info

ID:

298263

PubChem CID:

117648168

Reduced:

FO3N7C25H32 (1)

Stoich.:

AB3C7D25E32 (1)

Weight, g/mol:

484.428031

ΔHf, kcal/mol:

-91.85

Dipole, Da:

7.81

IP(EA), eV:

 -8.34(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=C2)NC3=NC(=C(C=C3C#N)F)N[C@H](COC)[C@H](C)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations