Geometry & MOs

Info

ID:	38570
PubChem CID:	8137099
Reduced:	SN3O6C19H27 (1)
Stoich.:	AB3C6D19E27 (1)
Weight, g/mol:	342.101585
ΔH_f, kcal/mol:	-209.56
Dipole, Da:	9.1
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NC3CC3)OC

DOS

IR

Vibrations