Geometry & MOs

Info

ID:	85464
PubChem CID:	49875447
Reduced:	BrSN4H19C25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	667.113016
ΔH_f, kcal/mol:	199.03
Dipole, Da:	4.09
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4N=C(N=N4)CC5=CC=C(S5)Br

DOS

IR

Vibrations