Geometry & MOs

Info

ID:	70327
PubChem CID:	48413193
Reduced:	N2S2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	370.03506
ΔH_f, kcal/mol:	-83.33
Dipole, Da:	3.74
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-methylphenyl)sulfonyl-4-but-3-ynylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations