Geometry & MOs

Info

ID:	70063
PubChem CID:	47207226
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	245.052193
ΔH_f, kcal/mol:	-179.72
Dipole, Da:	4.59
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)NCC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations