Geometry & MOs

Info

ID:	339787
PubChem CID:	127261796
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	269.087435
ΔH_f, kcal/mol:	39.85
Dipole, Da:	6.81
IP(EA), eV:	-9.66(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-5-methyl-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations