Geometry & MOs

Info

ID:	447718
PubChem CID:	135285076
Reduced:	Cl2O3N4C30H36 (1)
Stoich.:	A2B3C4D30E36 (1)
Weight, g/mol:	446.111185
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	4.16
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,4-difluorophenoxy)-5-[(sulfinoamino)methyl]phenyl]-1-methyl-7-oxo-2,4,5,6-tetrahydroisoindole

Drug info:

PubChemData

Smile

CCCCCC1(CN(C1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=O)CCC3=CN=CN3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations