Geometry & MOs

Info

ID:	37448
PubChem CID:	8021148
Reduced:	ClN2O4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	341.103
ΔH_f, kcal/mol:	-149.61
Dipole, Da:	6.12
IP(EA), eV:	-9.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)O[C@@H](C)C(=O)NC2(CCCCC2)C#N

DOS

IR

Vibrations