Geometry & MOs

Info

ID:	140076
PubChem CID:	52642787
Reduced:	ClSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	423.139882
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	5.29
IP(EA), eV:	-8.55(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CC2=CSC(=N2)NC(=O)COC3=C4C(=C(C=C3)Cl)C=CC=N4

DOS

IR

Vibrations