Geometry & MOs

Info

ID:

49370

PubChem CID:

11532929

Reduced:

NSO6C25H29 (1)

Stoich.:

ABC6D25E29 (1)

Weight, g/mol:

471.125969

ΔHf, kcal/mol:

-234.39

Dipole, Da:

3.49

IP(EA), eV:

 -8.89(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-[[6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,5,8-tetraoxo-3,4-dihydro-2H-1lambda6,4-benzothiazin-7-yl]amino]ethanesulfonate

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1C[C@H]([C@@H]2O)OC(=O)C4=CC(=CC=C4)S(=O)(=O)N)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations