Geometry & MOs

Info

ID:

307736

PubChem CID:

125308739

Reduced:

ON4C21H24 (1)

Stoich.:

AB4C21D24 (1)

Weight, g/mol:

426.386166

ΔHf, kcal/mol:

34.7

Dipole, Da:

1.86

IP(EA), eV:

 -8.66(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8R,9R,10R,13R,14R,17S)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NN=C2C(=O)N[C@H]3CCCC4=C5C=CC=CC5=N[C@@H]34

DOS

IR

Vibrations