Geometry & MOs

Info

ID:

214466

PubChem CID:

85083088

Reduced:

F3N6O6C23H25 (1)

Stoich.:

A3B6C6D23E25 (1)

Weight, g/mol:

538.205027

ΔHf, kcal/mol:

-211.8

Dipole, Da:

7.12

IP(EA), eV:

 -9.36(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,6,7-trihydroxy-1-(5-methyl-3-methylidene-6-phenyl-4-propan-2-yloxyhexyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(CC3=NN(N=N3)C)C4=CC=C(C=C4)C(F)(F)F)O)C(OC)OC

DOS

IR

Vibrations