Geometry & MOs

Info

ID:	37432
PubChem CID:	8021031
Reduced:	NCl2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-110.98
Dipole, Da:	6.57
IP(EA), eV:	-9.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)N[C@@H](C)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations