Geometry & MOs

Info

ID:	49170
PubChem CID:	11528784
Reduced:	Cl2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	235.048072
ΔH_f, kcal/mol:	-131.81
Dipole, Da:	4.3
IP(EA), eV:	-9.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(2,3-dioxo-1-benzofuran-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](CC(=O)O)O)Cl)Cl

DOS

IR

Vibrations