Geometry & MOs

Info

ID:	70340
PubChem CID:	48413213
Reduced:	SN3O5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	326.085577
ΔH_f, kcal/mol:	-41.9
Dipole, Da:	3.53
IP(EA), eV:	-9.03(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(4-chloro-2-methylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations