Geometry & MOs

Info

ID:	89944
PubChem CID:	49965529
Reduced:	F2N2O2S2H8C13 (1)
Stoich.:	A2B2C2D2E8F13 (1)
Weight, g/mol:	400.946239
ΔH_f, kcal/mol:	-98.27
Dipole, Da:	5.14
IP(EA), eV:	-8.97(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-2-[(5-hydroxy-7-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CSC2=NC3=C(S2)C(=O)C=C(N3)O)F)F

DOS

IR

Vibrations