Geometry & MOs

Info

ID:	157422
PubChem CID:	56424103
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	342.064983
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	5.6
IP(EA), eV:	-8.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylsulfanylpyridin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OCC(=C2)C(=O)NC3=CN=C(C=C3)SC

DOS

IR

Vibrations