Geometry & MOs

Info

ID:

222720

PubChem CID:

85332118

Reduced:

F3O4N6C21H31 (1)

Stoich.:

A3B4C6D21E31 (1)

Weight, g/mol:

489.189986

ΔHf, kcal/mol:

-283.55

Dipole, Da:

7.72

IP(EA), eV:

 -9.57(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]acetate

Drug info:

PubChemData

Smile

CCCCC(C(=O)C(=O)NC1CC=NN1)NC(=O)OC(CN2C=CC(=N2)C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations