Geometry & MOs

Info

ID:	70309
PubChem CID:	48413166
Reduced:	ClSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	326.085577
ΔH_f, kcal/mol:	-15.62
Dipole, Da:	5.91
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations