Geometry & MOs

Info

ID:	227663
PubChem CID:	87562182
Reduced:	FO3N4H21C25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	413.952721
ΔH_f, kcal/mol:	-40.56
Dipole, Da:	2.38
IP(EA), eV:	-8.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-chloro-2H-[1,3]thiazolo[5,4-b]pyridin-1-yl) N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamate

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)N3/C(=C\4/C=C(C(=CC4=O)O)CCC5=CC=C(C=C5)F)/NNC3=O

DOS

IR

Vibrations