Geometry & MOs

Info

ID:

147212

PubChem CID:

53786866

Reduced:

PO6C23H23 (1)

Stoich.:

AB6C23D23 (1)

Weight, g/mol:

368.282764

ΔHf, kcal/mol:

-234.96

Dipole, Da:

2.68

IP(EA), eV:

 -9.43(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(O)P(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations