Geometry & MOs

Info

ID:	50873
PubChem CID:	12013463
Reduced:	SN2O6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	358.095357
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	1.37
IP(EA), eV:	-10.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,4R)-4-(1,3-dioxoisoindol-2-yl)cyclopent-2-en-1-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C([C@@H]2C[C@H](C=C2)N3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

DOS

IR

Vibrations