Geometry & MOs

Info

ID:	68178
PubChem CID:	46507907
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	287.034018
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	1.51
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanethioamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations