Geometry & MOs

Info

ID:	227901
PubChem CID:	87562937
Reduced:	O3N5H17C25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	350.014347
ΔH_f, kcal/mol:	99.51
Dipole, Da:	2.87
IP(EA), eV:	-9.09(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-methylsulfonylpyridin-3-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C#CC2=CC=C(C=C2)C3=NC(=CC(=C3)C(=O)NO)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations