Geometry & MOs

Info

ID:	70015
PubChem CID:	47206725
Reduced:	NSCl2O3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	303.094057
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	1.21
IP(EA), eV:	-9.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)methylsulfonyl]-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N)S(=O)(=O)CC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations