Geometry & MOs

Info

ID:	37424
PubChem CID:	8020911
Reduced:	BrSN2O3H13C15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	412.085971
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	7.92
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br

DOS

IR

Vibrations