Geometry & MOs

Info

ID:

322470

PubChem CID:

126670226

Reduced:

F3N4O4C18H19 (1)

Stoich.:

A3B4C4D18E19 (1)

Weight, g/mol:

387.277344

ΔHf, kcal/mol:

-273.01

Dipole, Da:

9.53

IP(EA), eV:

 -9.06(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C(N(C(=O)N1)C2=CN=C(N=C2)OC3=CC(=C(C=C3)C)OC(F)(F)F)O)C

DOS

IR

Vibrations