Geometry & MOs

Info

ID:

298506

PubChem CID:

117650400

Reduced:

FON2C23H25 (1)

Stoich.:

ABC2D23E25 (1)

Weight, g/mol:

442.381081

ΔHf, kcal/mol:

-29.52

Dipole, Da:

7.93

IP(EA), eV:

 -8.8(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9S,10R,13R,14S,17R)-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] propanoate

Drug info:

PubChemData

Smile

CCCCCN1C=C(C2=C1C=CC(=C2)F)C(=O)NC3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations