Geometry & MOs

Info

ID:	62835
PubChem CID:	26737120
Reduced:	BrNO2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	303.055186
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	3.24
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(6-methoxypyridin-3-yl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations