Geometry & MOs

Info

ID:	70044
PubChem CID:	47207161
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	259.067843
ΔH_f, kcal/mol:	-131.27
Dipole, Da:	2.09
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-[(2-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)S(=O)(=O)CC

DOS

IR

Vibrations