Geometry & MOs

Info

ID:	31559
PubChem CID:	855869
Reduced:	ClSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	13.06
Dipole, Da:	4.79
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC=C3Cl

DOS

IR

Vibrations