Geometry & MOs

Info

ID:	145289
PubChem CID:	53493443
Reduced:	F3O7H21C24 (1)
Stoich.:	A3B7C21D24 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-381.1
Dipole, Da:	3.73
IP(EA), eV:	-9.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-benzyl-1-methyl-3-methylsulfinylazetidin-2-one

Drug info:

PubChemData

Smile

CC1([C@@H]([C@@H](C2=C(O1)C3=C(C=C2)C=CC(=O)O3)OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC)O)C

DOS

IR

Vibrations