Geometry & MOs

Info

ID:	150080
PubChem CID:	53789766
Reduced:	N2O3C6H6 (1)
Stoich.:	A2B3C6D6 (1)
Weight, g/mol:	562.332811
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	6.19
IP(EA), eV:	-9.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-hydroxydecoxy)phenyl]sulfonylphenoxy]decan-2-ol

Drug info:

PubChemData

Smile

CC(=O)OC1=CNC(=O)N=C1

DOS

IR

Vibrations