Geometry & MOs

Info

ID:

214820

PubChem CID:

85083696

Reduced:

FO3N4C14H17 (2)

Stoich.:

AB3C4D14E17 (2)

Weight, g/mol:

616.288362

ΔHf, kcal/mol:

-298.64

Dipole, Da:

3.98

IP(EA), eV:

 -8.95(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,12-diacetyloxy-2-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-6-(2-oxopropyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)C(CCCN=C(N)N)N)F)F

DOS

IR

Vibrations