Geometry & MOs

Info

ID:	36870
PubChem CID:	8014067
Reduced:	ClSN2O4H15C18 (1)
Stoich.:	ABC2D4E15F18 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-94.14
Dipole, Da:	11.48
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations