Geometry & MOs

Info

ID:	65241
PubChem CID:	29204659
Reduced:	ClSN2F3O5H14C16 (1)
Stoich.:	ABC2D3E5F14G16 (1)
Weight, g/mol:	478.057705
ΔH_f, kcal/mol:	-290.3
Dipole, Da:	5.37
IP(EA), eV:	-9.33(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-4-methylsulfonyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations