Geometry & MOs

Info

ID:	61281
PubChem CID:	26707943
Reduced:	BrSN2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	486.097346
ΔH_f, kcal/mol:	-82.37
Dipole, Da:	4.03
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

DOS

IR

Vibrations