Geometry & MOs

Info

ID:

44523

PubChem CID:

10503894

Reduced:

SN2F3O3C22H25 (1)

Stoich.:

AB2C3D3E22F25 (1)

Weight, g/mol:

454.199153

ΔHf, kcal/mol:

-247.56

Dipole, Da:

3.16

IP(EA), eV:

 -8.67(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,4R,6R,7S,10R,11R)-17-hydroxy-6-(2-hydroxy-5-oxo-2H-furan-3-yl)-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2NC3=C(C=CC(=C3)C(F)(F)F)S(=O)(=O)N2)C=C(C1=O)C(C)(C)C

DOS

IR

Vibrations