Geometry & MOs

Info

ID:	89943
PubChem CID:	49965528
Reduced:	N2O3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	325.999526
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.966070
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-difluorophenyl)methylsulfanyl]-5-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-7-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CC=CC=C2

DOS

IR

Vibrations