Geometry & MOs

Info

ID:	61063
PubChem CID:	26705050
Reduced:	S2N3O5C19H19 (1)
Stoich.:	A2B3C5D19E19 (1)
Weight, g/mol:	391.039355
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	8.27
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations