Geometry & MOs

Info

ID:	64679
PubChem CID:	29203843
Reduced:	ClSN2O5H17C22 (1)
Stoich.:	ABC2D5E17F22 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-99.3
Dipole, Da:	5.18
IP(EA), eV:	-8.47(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylphenyl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations