Geometry & MOs

Info

ID:

12199

PubChem CID:

132249

Reduced:

NaS3N5O10H20C21 (1)

Stoich.:

AB3C5D10E20F21 (1)

Weight, g/mol:

621.027

ΔHf, kcal/mol:

-350.75

Dipole, Da:

5.44

IP(EA), eV:

 -9.36(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;1-[3-[2-[[2-(7-azido-4-methyl-2-oxochromen-3-yl)acetyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)N=[N+]=[N-])CC(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations