Geometry & MOs

Info

ID:

13721

PubChem CID:

397223

Reduced:

ClS3N4O4H17C24 (1)

Stoich.:

AB3C4D4E17F24 (1)

Weight, g/mol:

556.010046

ΔHf, kcal/mol:

8.51

Dipole, Da:

6.63

IP(EA), eV:

 -8.84(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(1,3-benzothiazol-2-yl)-3-chloro-2-oxo-6-(2-thiophen-2-ylethenyl)-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CS6

DOS

IR

Vibrations