Geometry & MOs

Info

ID:	292349
PubChem CID:	114917298
Reduced:	SCl2N3O3C8H9 (1)
Stoich.:	AB2C3D3E8F9 (1)
Weight, g/mol:	301.074868
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	5.37
IP(EA), eV:	-10.18(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dichloropyridin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1Cl)Cl)C(=O)NCCS(=O)(=O)N

DOS

IR

Vibrations