Geometry & MOs

Info

ID:	41575
PubChem CID:	8146365
Reduced:	Cl2N2O4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	385.072187
ΔH_f, kcal/mol:	-154.31
Dipole, Da:	1.0
IP(EA), eV:	-9.28(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3S)-1-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

DOS

IR

Vibrations