Geometry & MOs

Info

ID:

429770

PubChem CID:

135169822

Reduced:

ClIOSN4H12C18 (1)

Stoich.:

ABCDE4F12G18 (1)

Weight, g/mol:

522.132876

ΔHf, kcal/mol:

71.07

Dipole, Da:

4.79

IP(EA), eV:

 -9.26(-2.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N-[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-[(3-methyl-2H-1,3-benzothiazol-4-yl)imino]pent-1-en-2-yl]-3-chloro-2-N-[(Z)-2-iminoethylideneamino]-6-methylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C=C3)Cl)SI

DOS

IR

Vibrations