Geometry & MOs

Info

ID:	147709
PubChem CID:	53787366
Reduced:	N2S2O5C10H18 (1)
Stoich.:	A2B2C5D10E18 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-237.21
Dipole, Da:	5.39
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dihydroxy-4,5-dihydroisoindol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](CSSCC(C(=O)O)N)C(=O)O

DOS

IR

Vibrations