Geometry & MOs

Info

ID:	70341
PubChem CID:	48413214
Reduced:	ClSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	379.991982
ΔH_f, kcal/mol:	-17.06
Dipole, Da:	4.28
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2,4,6-trichlorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations