Geometry & MOs

Info

ID:

214622

PubChem CID:

85083292

Reduced:

OSN3H10C15 (2)

Stoich.:

ABC3D10E15 (2)

Weight, g/mol:

560.108916

ΔHf, kcal/mol:

158.12

Dipole, Da:

3.22

IP(EA), eV:

 -8.91(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-methylphenyl)methylidene]-2-[3-[5-[(4-methylphenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C5=NN6C(=O)C(=CC7=CC=C(C=C7)C)SC6=N5)S2

DOS

IR

Vibrations