Geometry & MOs

Info

ID:	125839
PubChem CID:	50941057
Reduced:	N3C20H23 (1)
Stoich.:	A3B20C23 (1)
Weight, g/mol:	1797.54476
ΔH_f, kcal/mol:	59.47
Dipole, Da:	4.65
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoate;rhodium(2+)

Drug info:

PubChemData

Smile

CCCCCN1C(=CN=C1N)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations