Geometry & MOs

Info

ID:	45810
PubChem CID:	10517806
Reduced:	NOF3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-149.56
Dipole, Da:	4.02
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one

Drug info:

PubChemData

Smile

CN1[C@H]([C@@](C2=CC=CC=C21)(C(F)(F)F)O)C3=CC=CC=C3

DOS

IR

Vibrations