Geometry & MOs

Info

ID:	70360
PubChem CID:	48413242
Reduced:	S2N3O4C18H27 (1)
Stoich.:	A2B3C4D18E27 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-85.88
Dipole, Da:	6.26
IP(EA), eV:	-9.06(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2-methoxyphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations