Geometry & MOs

Info

ID:	131135
PubChem CID:	51161504
Reduced:	ClSN2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	354.080491
ΔH_f, kcal/mol:	-137.01
Dipole, Da:	5.59
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)hexa-2,4-dienamide

Drug info:

PubChemData

Smile

COCC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

DOS

IR

Vibrations