Geometry & MOs

Info

ID:	137396
PubChem CID:	52203563
Reduced:	N2F3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	362.049191
ΔH_f, kcal/mol:	-324.49
Dipole, Da:	3.52
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methylsulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC(F)(F)F)NC(=O)C1=CC(=CC(=C1)OC)OC

DOS

IR

Vibrations