Geometry & MOs

Info

ID:	77659
PubChem CID:	49658600
Reduced:	ClS2N3O5H14C20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	499.003896
ΔH_f, kcal/mol:	-32.94
Dipole, Da:	2.89
IP(EA), eV:	-8.83(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-methyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=C(SC=C2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations