Geometry & MOs

Info

ID:	70051
PubChem CID:	47207204
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	285.022642
ΔH_f, kcal/mol:	-135.01
Dipole, Da:	1.72
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2-(ethylsulfonylmethyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CCS(=O)(=O)C(C)C(=O)NC1=CC=CC(=C1C)C

DOS

IR

Vibrations