Geometry & MOs

Info

ID:	133420
PubChem CID:	51524868
Reduced:	Cl2N2O3H20C24 (1)
Stoich.:	A2B2C3D20E24 (1)
Weight, g/mol:	299.016024
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	7.57
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2R)-1-ethoxy-1-oxopropan-2-yl]sulfanyl-7-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2CC(=NC3=CC=C(C=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations