Geometry & MOs

Info

ID:	395506
PubChem CID:	135025641
Reduced:	SO2N4C35H45 (1)
Stoich.:	AB2C4D35E45 (1)
Weight, g/mol:	177.042593
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.235592
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-3-oxo-1H-isoindole-2-carbaldehyde

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)N5CCN(CC5)CCCS

DOS

IR

Vibrations