Geometry & MOs

Info

ID:	133421
PubChem CID:	51525018
Reduced:	N2S2O4C11H11 (1)
Stoich.:	A2B2C4D11E11 (1)
Weight, g/mol:	299.016024
ΔH_f, kcal/mol:	-103.97
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771873
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)SC1=NC2=C(S1)C(=O)C=C(N2)[O-]

DOS

IR

Vibrations