Geometry & MOs

Info

ID:	136684
PubChem CID:	52084722
Reduced:	Cl2S2N3O3H13C18 (1)
Stoich.:	A2B2C3D3E13F18 (1)
Weight, g/mol:	357.035417
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	11.12
IP(EA), eV:	-9.32(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)C2=NSC(=N2)NC(=O)/C=C/C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations