Geometry & MOs

Info

ID:	296675
PubChem CID:	117588119
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	365.05826
ΔH_f, kcal/mol:	-175.03
Dipole, Da:	2.08
IP(EA), eV:	-9.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)O)C2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations