Geometry & MOs

Info

ID:	413090
PubChem CID:	135086034
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	202.041213
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	3.75
IP(EA), eV:	-9.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1H-pyrrol-2-ylsulfinyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H]2[C@@H](O2)C=O

DOS

IR

Vibrations