Geometry & MOs

Info

ID:	406608
PubChem CID:	135078160
Reduced:	NO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	596.22326
ΔH_f, kcal/mol:	-156.52
Dipole, Da:	3.08
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-oxo-6-phenylsulfanyloctan-2-yl) 2-formyl-4,6-bis(phenylmethoxy)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)C(=NO2)C3=C(C=CC=C3OC)C=O)C

DOS

IR

Vibrations