Geometry & MOs

Info

ID:	301964
PubChem CID:	123105380
Reduced:	ClO2S2N3C13H14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	333.083493
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	7.25
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[(4-fluorophenyl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CS(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations