Geometry & MOs

Info

ID:	85461
PubChem CID:	49875424
Reduced:	S2N5O6C10H11 (1)
Stoich.:	A2B5C6D10E11 (1)
Weight, g/mol:	647.140945
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	4.45
IP(EA), eV:	-10.09(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-2-methyl-1,1-dioxo-6-(2-trityltetrazol-5-yl)thieno[2,3-e]thiazin-4-one

Drug info:

PubChemData

Smile

COC(=O)CNS(=O)(=O)C1=C(SC(=C1)C2=NNN=N2)C(=O)OC

DOS

IR

Vibrations