Geometry & MOs

Info

ID:	398893
PubChem CID:	135036115
Reduced:	NOSC9H19 (1)
Stoich.:	ABCD9E19 (1)
Weight, g/mol:	506.157682
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	2.57
IP(EA), eV:	-9.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(CCS)C(=O)CC

DOS

IR

Vibrations