Geometry & MOs

Info

ID:

233064

PubChem CID:

87692375

Reduced:

SrO3H4C7 (1)

Stoich.:

AB3C4D7 (1)

Weight, g/mol:

753.073281

ΔHf, kcal/mol:

-97.3

Dipole, Da:

14.95

IP(EA), eV:

-8.25(-1.86)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

sodium;3-[(2E)-6-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]-methylamino]-2-[(E,4Z)-4-(1,1,3-trioxo-1-benzothiophen-2-ylidene)but-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)[O-])[O-].[Sr+2]

DOS

IR

Vibrations