Geometry & MOs

Info

ID:	141510
PubChem CID:	52885830
Reduced:	ClN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	336.12224
ΔH_f, kcal/mol:	-164.88
Dipole, Da:	5.99
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-4-[[(6S)-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methyl]-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=C(C=CC(=C1)N)Cl

DOS

IR

Vibrations