Geometry & MOs

Info

ID:

165362

PubChem CID:

74538784

Reduced:

OF4N5H13C17 (1)

Stoich.:

AB4C5D13E17 (1)

Weight, g/mol:

601.284002

ΔHf, kcal/mol:

-136.05

Dipole, Da:

7.27

IP(EA), eV:

 -9.17(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=CC(=N2)C3=CC=C(C=C3)F)NC(=O)C(F)(F)F)C

DOS

IR

Vibrations