Geometry & MOs

Info

ID:

53384

PubChem CID:

14714058

Reduced:

NSeO2C21H33 (1)

Stoich.:

ABC2D21E33 (1)

Weight, g/mol:

568.32957

ΔHf, kcal/mol:

-112.96

Dipole, Da:

3.96

IP(EA), eV:

 -8.53(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NC1CCCCCCCCCCC1[Se]C2=CC=CC=C2

DOS

IR

Vibrations