Geometry & MOs

Info

ID:	70329
PubChem CID:	48413196
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-44.04
Dipole, Da:	4.56
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2-methyl-3-nitrophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations