Geometry & MOs

Info

ID:	380791
PubChem CID:	134971352
Reduced:	O4C25H34 (1)
Stoich.:	A4B25C34 (1)
Weight, g/mol:	519.152931
ΔH_f, kcal/mol:	-164.74
Dipole, Da:	0.81
IP(EA), eV:	-9.3(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,5R)-3-benzamido-4-benzoyloxy-5-[(1R)-1,2-dihydroxyethyl]-2-oxooxolan-3-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)[C@@]([C@H]1[C@@H](OC(O1)(C)C)[C@](C2=CC=CC=C2)(C(C)C)O)(C3=CC=CC=C3)O

DOS

IR

Vibrations