Geometry & MOs

Info

ID:	62523
PubChem CID:	26719832
Reduced:	SN2O6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	318.037094
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	8.14
IP(EA), eV:	-8.31(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations