Geometry & MOs

Info

ID:	233350
PubChem CID:	89850662
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	3.54
IP(EA), eV:	-9.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5R)-3-hydroxy-4-methyl-5-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

Drug info:

PubChemData

Smile

COC(=O)[C@H]([C@@H](C1=CC=CC=C1)O)NCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations