Geometry & MOs

Info

ID:

445482

PubChem CID:

135267308

Reduced:

ClO4F6N8H33C41 (1)

Stoich.:

AB4C6D8E33F41 (1)

Weight, g/mol:

384.165837

ΔHf, kcal/mol:

-189.6

Dipole, Da:

9.46

IP(EA), eV:

 -8.76(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(11-amino-8,13-dioxo-2,7,10,16-tetrazatricyclo[7.7.0.02,7]hexadeca-1(9),11,14-trien-14-yl)-2-imidazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)NC(=O)C4=CC=NO4)[C@H](CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C(CC(C7(F)F)C=C)C(=N6)C(F)F)O

DOS

IR

Vibrations