Geometry & MOs

Info

ID:

173076

PubChem CID:

75593297

Reduced:

ClOF3N6C19H20 (1)

Stoich.:

ABC3D6E19F20 (1)

Weight, g/mol:

402.167853

ΔHf, kcal/mol:

-112.04

Dipole, Da:

11.4

IP(EA), eV:

 -9.69(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5S,8R,10S,11R,13R,17E,18R)-10,18-dihydroxy-17-(methoxymethylidene)-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecane-7,9,16-trione

Drug info:

PubChemData

Smile

CC1=NC(=CN1C(C)C(=O)NC2=C(N(N=N2)C3=CC=C(C=C3)Cl)C(C)C)C(F)(F)F

DOS

IR

Vibrations