Geometry & MOs

Info

ID:	68262
PubChem CID:	46508076
Reduced:	ClSN3O3H16C20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	387.989625
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	5.77
IP(EA), eV:	-8.79(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 5-chlorothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=C(S2)Cl)C3=CC=CC=C3)C

DOS

IR

Vibrations