Geometry & MOs

Info

ID:

307245

PubChem CID:

125292950

Reduced:

S3O4N8C31H32 (1)

Stoich.:

A3B4C8D31E32 (1)

Weight, g/mol:

437.048409

ΔHf, kcal/mol:

-39.73

Dipole, Da:

13.61

IP(EA), eV:

 -8.46(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-[(S)-methylsulfinyl]-N-sulfooxypentanimidothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)NC(=O)CC4=CSC(=N4)N)C(=O)CC5=CSC(=N5)N)O

DOS

IR

Vibrations