Geometry & MOs

Info

ID:	137964
PubChem CID:	52292472
Reduced:	F3N3O4C21H28 (1)
Stoich.:	A3B3C4D21E28 (1)
Weight, g/mol:	478.210387
ΔH_f, kcal/mol:	-306.55
Dipole, Da:	4.67
IP(EA), eV:	-8.37(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-3-(3-methoxyphenoxy)-1-[[(2S)-oxolan-2-yl]methyl]azetidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations