Geometry & MOs

Info

ID:

429754

PubChem CID:

135169805

Reduced:

O2F3N9H14C21 (1)

Stoich.:

A2B3C9D14E21 (1)

Weight, g/mol:

509.226326

ΔHf, kcal/mol:

4.77

Dipole, Da:

9.11

IP(EA), eV:

 -9.55(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-N-[(3Z)-3-(aminomethylidene)-4-[[(1E,2Z,4Z,7E,9E)-10-cyano-1,2,5,6-tetrazacycloundeca-2,4,7,9,11-pentaen-8-yl]amino]-1,1,1-trifluoropent-4-en-2-ylidene]-N'-ethenyl-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

Drug info:

PubChemData

Smile

C=NCC1=C(N=CC(=C1)NC(=O)C2=C(N(N=C2)C3=C4C(=CC=C3)OC=N4)C(F)(F)F)N5N=CC=N5

DOS

IR

Vibrations