Geometry & MOs

Info

ID:

315029

PubChem CID:

126624238

Reduced:

SF3N3O5C26H28 (1)

Stoich.:

AB3C3D5E26F28 (1)

Weight, g/mol:

424.045945

ΔHf, kcal/mol:

-258.27

Dipole, Da:

4.46

IP(EA), eV:

 -8.6(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-(1-carboxyethyl)-5-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(/CCCS)\[C@H](C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)CC(F)(F)F

DOS

IR

Vibrations