Geometry & MOs

Info

ID:	60466
PubChem CID:	26697046
Reduced:	SN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	408.192331
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753707
Charge, e:	1

Chem-info

IUPAC name:

N-(2-morpholin-4-ium-4-ylethyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3)C

DOS

IR

Vibrations