Geometry & MOs

Info

ID:

13724

PubChem CID:

397227

Reduced:

S3N4O5H20C26 (1)

Stoich.:

A3B4C5D20E26 (1)

Weight, g/mol:

564.059583

ΔHf, kcal/mol:

-54.4

Dipole, Da:

5.47

IP(EA), eV:

 -8.66(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(1,3-benzothiazol-2-yl)-8-[2-(2-hydroxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6O

DOS

IR

Vibrations