Geometry & MOs

Info

ID:	178017
PubChem CID:	76264409
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	396.050396
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	3.39
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-5-(trifluoromethyl)pyridin-3-ylidene]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=CC=C(C=C2)N3C=CN=C3SC)C

DOS

IR

Vibrations