Geometry & MOs

Info

ID:	70347
PubChem CID:	48413222
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	3.53
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(3,4-diethoxyphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations