Geometry & MOs

Info

ID:	77656
PubChem CID:	49658596
Reduced:	ClS2N3O4H16C20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	489.058376
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	3.61
IP(EA), eV:	-8.95(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-methyl-2-[3-(4-propan-2-yloxyphenyl)-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=CC=C(C=C4)OC

DOS

IR

Vibrations