Geometry & MOs

Info

ID:	22487
PubChem CID:	597366
Reduced:	SN2O3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	212.025563
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	8.16
IP(EA), eV:	-8.35(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carboxy-5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-4-ium-8-olate

Drug info:

PubChemData

Smile

CC1=NC=C(C2=[N+]1C(CS2)C(=O)O)[O-]

DOS

IR

Vibrations