Geometry & MOs

Info

ID:	70038
PubChem CID:	47207047
Reduced:	NSF2O5C11H11 (1)
Stoich.:	ABC2D5E11F11 (1)
Weight, g/mol:	289.053942
ΔH_f, kcal/mol:	-288.54
Dipole, Da:	2.58
IP(EA), eV:	-9.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-ethylsulfonylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)NC1=CC2=C(C=C1)OC(O2)(F)F

DOS

IR

Vibrations