Geometry & MOs

Info

ID:

83309

PubChem CID:

49857435

Reduced:

FSN2O3H9C10 (2)

Stoich.:

ABC2D3E9F10 (2)

Weight, g/mol:

586.051432

ΔHf, kcal/mol:

-240.07

Dipole, Da:

6.86

IP(EA), eV:

 -8.36(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 6-[[(2Z)-2-(5,7-dichloro-6-oxo-1,3-benzothiazol-2-ylidene)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC1(C(N/C(=C/2\N=C3C=C(C(=O)C(=C3S2)F)F)/S1)C(=O)NCCC(=O)ON4C(=O)CCC4=O)C

DOS

IR

Vibrations