Geometry & MOs

Info

ID:	160425
PubChem CID:	57309773
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	616.213089
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	4.52
IP(EA), eV:	-10.29(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzoyl-5-octoxyphenyl) 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)OCC1CCC=N1

DOS

IR

Vibrations