Geometry & MOs

Info

ID:	148937
PubChem CID:	53788607
Reduced:	NCl2O3H15C22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	271.051444
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	8.72
IP(EA), eV:	-9.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-2-(2,5-dihydroxyphenyl)-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)OC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations