Geometry & MOs

Info

ID:	296683
PubChem CID:	117588467
Reduced:	SO4N5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	469.120861
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	9.73
IP(EA), eV:	-9.04(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-[4-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2)OCC(=O)N5CCCCC5

DOS

IR

Vibrations