Geometry & MOs

Info

ID:	70350
PubChem CID:	48413227
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	9.42
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations