Geometry & MOs

Info

ID:	34128
PubChem CID:	7889963
Reduced:	S2O3N4H18C19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	327.088241
ΔH_f, kcal/mol:	-42.16
Dipole, Da:	10.88
IP(EA), eV:	-9.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-4-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

DOS

IR

Vibrations