Geometry & MOs

Info

ID:

180040

PubChem CID:

76569635

Reduced:

S4N9O16H37C49 (1)

Stoich.:

A4B9C16D37E49 (1)

Weight, g/mol:

370.037191

ΔHf, kcal/mol:

-234.47

Dipole, Da:

5.8

IP(EA), eV:

 -9.23(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3-isocyanophenyl)hydrazinylidene]-2,4-dioxo-1H-quinoline-6-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OCCNC4NC(NC(=O)N4)NC5=C(C=C6C=C(C(=CC6=C5)N=NC7=C8C=C(C=CC8=C(C=C7)N=NC9=CC1=C(C=C9)C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O)SOOO)S(=O)(=O)O

DOS

IR

Vibrations