Geometry & MOs

Info

ID:

191547

PubChem CID:

78162717

Reduced:

SN5O5H23C26 (1)

Stoich.:

AB5C5D23E26 (1)

Weight, g/mol:

658.297338

ΔHf, kcal/mol:

28.48

Dipole, Da:

7.01

IP(EA), eV:

 -9.05(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-acetyloxy-16-fluoro-1-hydroxy-10,14,17,17-tetramethyl-11,15-dioxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)[N+](=O)[O-])CCCC3=CC5=CC=C(C=C5)[N+](=O)[O-])N=C1SC

DOS

IR

Vibrations