Geometry & MOs

Info

ID:	173466
PubChem CID:	75641631
Reduced:	ClO2N3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	207.026195
ΔH_f, kcal/mol:	30.72
Dipole, Da:	2.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771926
Charge, e:	1

Chem-info

IUPAC name:

3a-methyl-5,5-dioxo-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazol-3-ium-2-amine

Drug info:

PubChemData

Smile

C1C(C(C(=CC1=O)[O-])N2C=NC=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations