Geometry & MOs

Info

ID:	366765
PubChem CID:	127320302
Reduced:	S2N4O5C14H18 (1)
Stoich.:	A2B4C5D14E18 (1)
Weight, g/mol:	390.091929
ΔH_f, kcal/mol:	-137.94
Dipole, Da:	7.35
IP(EA), eV:	-9.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)sulfonyl-4-(oxolan-3-ylsulfonyl)piperazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CN3

DOS

IR

Vibrations