Geometry & MOs

Info

ID:	41576
PubChem CID:	8146366
Reduced:	Cl2N2O4C17H19 (1)
Stoich.:	A2B2C4D17E19 (1)
Weight, g/mol:	384.064363
ΔH_f, kcal/mol:	-151.99
Dipole, Da:	13.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922967
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations