Geometry & MOs

Info

ID:	61884
PubChem CID:	26715416
Reduced:	ClSN2F3O3H14C17 (1)
Stoich.:	ABC2D3E3F14G17 (1)
Weight, g/mol:	400.070463
ΔH_f, kcal/mol:	-227.7
Dipole, Da:	5.01
IP(EA), eV:	-9.64(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(methylsulfamoyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations