Geometry & MOs

Info

ID:	77652
PubChem CID:	49658585
Reduced:	ClS2N3O3H16C20 (1)
Stoich.:	AB2C3D3E16F20 (1)
Weight, g/mol:	488.98165
ΔH_f, kcal/mol:	22.71
Dipole, Da:	4.05
IP(EA), eV:	-8.93(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=C(SC=C2)C3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations