Geometry & MOs

Info

ID:	146646
PubChem CID:	53723176
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	331.116821
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	6.42
IP(EA), eV:	-8.61(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-4-nitroisoindol-2-yl)-3-propylpiperidine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)N)C3=CC=C(C=C3)C

DOS

IR

Vibrations