Geometry & MOs

Info

ID:	231646
PubChem CID:	87574373
Reduced:	Cl2O4N6H16C21 (1)
Stoich.:	A2B4C6D16E21 (1)
Weight, g/mol:	344.094312
ΔH_f, kcal/mol:	-10.85
Dipole, Da:	5.17
IP(EA), eV:	-8.99(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (4Z)-3-methyl-7-oxo-4-(1H-pyrazin-2-ylidene)-[1,2]thiazolo[4,5-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC(=C2)C3=NC(=NC4=C3C=C(C=C4)Cl)Cl)OC(=O)N=C=NC(=O)O

DOS

IR

Vibrations