Geometry & MOs

Info

ID:	296684
PubChem CID:	117588473
Reduced:	SO3N5H19C25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	577.04194
ΔH_f, kcal/mol:	49.83
Dipole, Da:	6.74
IP(EA), eV:	-9.08(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[2-ethoxy-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

CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N4C(=NC(=N4)C5=CC=NC=C5)S3

DOS

IR

Vibrations