Geometry & MOs

Info

ID:	50428
PubChem CID:	12012961
Reduced:	PN4O4C14H21 (1)
Stoich.:	AB4C4D14E21 (1)
Weight, g/mol:	283.141973
ΔH_f, kcal/mol:	-180.45
Dipole, Da:	2.97
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-(2-methylpropyl)-3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=NC2=CC=CC=C2N1C(=O)NNC)OCC

DOS

IR

Vibrations