Geometry & MOs

Info

ID:	136676
PubChem CID:	52083710
Reduced:	ClFSO2N5H11C17 (1)
Stoich.:	ABCD2E5F11G17 (1)
Weight, g/mol:	449.011616
ΔH_f, kcal/mol:	31.1
Dipole, Da:	9.04
IP(EA), eV:	-8.9(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=NN3C(=NN=C3S2)COC4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations