Geometry & MOs

Info

ID:	268301
PubChem CID:	103598812
Reduced:	ClSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	4.69
IP(EA), eV:	-8.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetamidophenyl)-N-[4-(2-oxopyridin-1-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)S(=O)(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations