Geometry & MOs

Info

ID:	45868
PubChem CID:	10518353
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	301.152537
ΔH_f, kcal/mol:	-149.7
Dipole, Da:	5.63
IP(EA), eV:	-9.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1C2C=CC=CC2N(C1Cl)C(=O)OCC

DOS

IR

Vibrations