Geometry & MOs

Info

ID:

299131

PubChem CID:

117672203

Reduced:

ON5C16H17 (1)

Stoich.:

AB5C16D17 (1)

Weight, g/mol:

470.279726

ΔHf, kcal/mol:

23.61

Dipole, Da:

6.95

IP(EA), eV:

 -8.28(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C=CC=C21)NC3=NC(=NC=C3C(=O)N)C

DOS

IR

Vibrations