Geometry & MOs

Info

ID:	46317
PubChem CID:	10523869
Reduced:	NO10C15H27 (1)
Stoich.:	AB10C15D27 (1)
Weight, g/mol:	381.121237
ΔH_f, kcal/mol:	-471.76
Dipole, Da:	3.74
IP(EA), eV:	-9.91(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-[(4S)-2-oxo-4-phenyloxolan-3-yl]azetidin-2-yl] formate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@H]([C@H](OC1O)CO)O)C[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations