Geometry & MOs

Info

ID:	235358
PubChem CID:	92309601
Reduced:	ClN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	3.99
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2[C@H]([C@H](C2=O)OC3=CC=C(C=C3)Cl)CNC4CCCC4

DOS

IR

Vibrations