Geometry & MOs

Info

ID:	230164
PubChem CID:	87570335
Reduced:	ClFOSN3C19H19 (1)
Stoich.:	ABCDE3F19G19 (1)
Weight, g/mol:	332.050064
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	3.75
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(2-sulfanylethylamino)butanoic acid;2-sulfanylidene-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=CN(C(=C1)C(=O)NC2=NC=CS2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations