Geometry & MOs

Info

ID:

303641

PubChem CID:

124489990

Reduced:

PN2O5C16H17 (1)

Stoich.:

AB2C5D16E17 (1)

Weight, g/mol:

376.26136

ΔHf, kcal/mol:

-195.25

Dipole, Da:

7.34

IP(EA), eV:

 -8.85(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,5S,8S,9R,10S,13S,14R,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCO[P@@](=O)(N(C)C)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

DOS

IR

Vibrations