Geometry & MOs

Info

ID:	175222
PubChem CID:	75869084
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	419.001051
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	4.13
IP(EA), eV:	-8.89(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=O)N

DOS

IR

Vibrations