Geometry & MOs

Info

ID:	231028
PubChem CID:	87572482
Reduced:	NO6C21H41 (1)
Stoich.:	AB6C21D41 (1)
Weight, g/mol:	390.047929
ΔH_f, kcal/mol:	-315.79
Dipole, Da:	1.34
IP(EA), eV:	-9.68(0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(6-chloropyridin-3-yl)methyl]-3-(2-fluorophenyl)-4-oxido-5H-[1,3]thiazolo[3,2-a]pyrimidine-1,4-diium-2-ol

Drug info:

PubChemData

Smile

C(CCCCCCCCC(=O)OCC(CO)NO)CCCCCCCC(=O)O

DOS

IR

Vibrations