Geometry & MOs

Info

ID:	67673
PubChem CID:	46506940
Reduced:	ClOSN3H12C18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	485.152161
ΔH_f, kcal/mol:	42.83
Dipole, Da:	6.96
IP(EA), eV:	-8.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNC3=C2NC(=S)N(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations