Geometry & MOs

Info

ID:	387697
PubChem CID:	134986463
Reduced:	NOS2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-61.68
Dipole, Da:	3.82
IP(EA), eV:	-8.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]([C@H](SC1=CC=CC=N1)SC(C)(C)C)O

DOS

IR

Vibrations