Geometry & MOs

Info

ID:	242828
PubChem CID:	99213250
Reduced:	ClS2N3O3C14H14 (1)
Stoich.:	AB2C3D3E14F14 (1)
Weight, g/mol:	399.04444
ΔH_f, kcal/mol:	-68.02
Dipole, Da:	8.68
IP(EA), eV:	-9.99(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1CC(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations