Geometry & MOs

Info

ID:

177144

PubChem CID:

76141244

Reduced:

F2N2O7C18H18 (1)

Stoich.:

A2B2C7D18E18 (1)

Weight, g/mol:

659.320665

ΔHf, kcal/mol:

-366.82

Dipole, Da:

8.27

IP(EA), eV:

 -10.35(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[4-(2-acetyloxyhexoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-phenyl-1,3,5-triazinan-2-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxyhexan-2-yl acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1F)N2CC(C(=O)NC2=O)F)COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations