Geometry & MOs

Info

ID:	70314
PubChem CID:	48413173
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	28.34
Dipole, Da:	4.3
IP(EA), eV:	-8.98(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2-methyl-6-nitrophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations