Geometry & MOs

Info

ID:	387213
PubChem CID:	134984431
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	381.178752
ΔH_f, kcal/mol:	31.88
Dipole, Da:	3.32
IP(EA), eV:	-9.17(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3aS,4S,5R)-2-(2-hydroxyethyl)-5-(2-methoxyethoxymethoxy)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl] benzoate

Drug info:

PubChemData

Smile

C[C@]1([C@H](CON1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations