Geometry & MOs

Info

ID:	68277
PubChem CID:	46508099
Reduced:	SO3N5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	490.096535
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	6.16
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2N1C(=O)CSC3=NN(C=N3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations