Geometry & MOs

Info

ID:

83310

PubChem CID:

49857436

Reduced:

Cl2S2N4O6C23H24 (1)

Stoich.:

A2B2C4D6E23F24 (1)

Weight, g/mol:

441.026469

ΔHf, kcal/mol:

-173.79

Dipole, Da:

13.37

IP(EA), eV:

 -8.15(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) (2Z)-2-(5,7-difluoro-6-oxo-1,3-benzothiazol-2-ylidene)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N/C(=C/2\N=C3C=C(C(=O)C(=C3S2)Cl)Cl)/S1)C(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C

DOS

IR

Vibrations