Geometry & MOs

Info

ID:	398837
PubChem CID:	135035661
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	506.157682
ΔH_f, kcal/mol:	-177.18
Dipole, Da:	3.68
IP(EA), eV:	-9.35(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CN1CC2=CC=CC=C2)CC(C)(C(=O)C)C(=O)OC

DOS

IR

Vibrations