Geometry & MOs

Info

ID:	132728
PubChem CID:	51407951
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	378.00408
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	3.08
IP(EA), eV:	-9.46(0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanyl-7-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)[C@@H]2C[C@H]2C3=CC=CC=C3

DOS

IR

Vibrations