Geometry & MOs

Info

ID:	53727
PubChem CID:	14717814
Reduced:	AlCaCdH3O4 (1)
Stoich.:	ABCD3E4 (1)
Weight, g/mol:	540.102493
ΔH_f, kcal/mol:	-141.7
Dipole, Da:	0.36
IP(EA), eV:	-5.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,4-bis[1-(2-carboxyethylsulfanyl)isoindol-2-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

OO.O[O-].[Al].[Ca+2].[Cd]

DOS

IR

Vibrations