Geometry & MOs

Info

ID:

85465

PubChem CID:

49875449

Reduced:

S3O4N7H25C32 (1)

Stoich.:

A3B4C7D25E32 (1)

Weight, g/mol:

425.003465

ΔHf, kcal/mol:

93.54

Dipole, Da:

3.27

IP(EA), eV:

 -9.1(-1.55)

Spin(Sz, 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-(2H-tetrazol-5-yl)thieno[2,3-e]thiazin-4-one

Drug info:

PubChemData

Smile

CC1=CN=C(S1)N/C(=C\2/C(=O)C3=C(C=C(S3)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)N2C)/O

DOS

IR

Vibrations