Geometry & MOs

Info

ID:	70355
PubChem CID:	48413235
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	400.04563
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	8.7
IP(EA), eV:	-8.65(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-but-3-ynylpiperazine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations