Geometry & MOs

Info

ID:

429903

PubChem CID:

135169957

Reduced:

ClN3C11H12 (1)

Stoich.:

AB3C11D12 (1)

Weight, g/mol:

496.080841

ΔHf, kcal/mol:

66.16

Dipole, Da:

4.05

IP(EA), eV:

 -8.12(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-N-[(E,1Z)-1-[[(Z)-2-aminoethenyl]hydrazinylidene]-4-chloro-5-iminopent-3-en-2-ylidene]-2-(aminomethylidene)-3-(1,3-benzothiazol-4-ylimino)-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

C=CC1CN(N=C1)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations