Geometry & MOs

Info

ID:	26912
PubChem CID:	804353
Reduced:	ClO2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	340.069536
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	6.09
IP(EA), eV:	-9.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OC(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations