Geometry & MOs

Info

ID:	323400
PubChem CID:	126674698
Reduced:	O2C6H7 (4)
Stoich.:	A2B6C7 (4)
Weight, g/mol:	466.109962
ΔH_f, kcal/mol:	-277.9
Dipole, Da:	8.84
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[3-(4-cyanophenoxy)phenyl]sulfinamoylamino]phenoxy]benzonitrile

Drug info:

PubChemData

Smile

CC(=C)OCCOCCOCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations