Geometry & MOs

Info

ID:	235359
PubChem CID:	92309610
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	374.13972
ΔH_f, kcal/mol:	-71.6
Dipole, Da:	4.75
IP(EA), eV:	-8.61(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(4-chlorophenoxy)-4-[(2-methoxyethylamino)methyl]-1-(4-methylphenyl)azetidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)OC3=CC=C(C=C3)Cl)CNCCCOC

DOS

IR

Vibrations