Geometry & MOs

Info

ID:	389866
PubChem CID:	134995663
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	249.067094
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	3.41
IP(EA), eV:	-9.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R,5S)-4-acetyl-5-hydroperoxy-2,2-dimethyl-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)/C=C/COOC(C)(C)C

DOS

IR

Vibrations