Geometry & MOs

Info

ID:	46779
PubChem CID:	10527254
Reduced:	SN2F3O4C20H23 (1)
Stoich.:	AB2C3D4E20F23 (1)
Weight, g/mol:	444.156637
ΔH_f, kcal/mol:	-249.08
Dipole, Da:	12.01
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-(3-ethoxypropyl) 3-O-methyl 4-(4-methoxyphenyl)sulfonylpiperazine-1,3-dicarboxylate

Drug info:

PubChemData

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C[C@H]1[C@H](N(C1=[N+](C)C)C2=CC=C(C=C2)OC)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations