Geometry & MOs

Info

ID:	70001
PubChem CID:	47206606
Reduced:	ClSN2O3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	295.048999
ΔH_f, kcal/mol:	-55.33
Dipole, Da:	4.88
IP(EA), eV:	-9.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CS(=O)(=O)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations