Geometry & MOs

Info

ID:	180041
PubChem CID:	76569639
Reduced:	SN4O5H10C16 (1)
Stoich.:	AB4C5D10E16 (1)
Weight, g/mol:	509.090623
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	3.09
IP(EA), eV:	-9.76(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]hydrazinylidene]-8-oxoquinoline-5-sulfonic acid

Drug info:

PubChemData

Smile

[C-]#[N+]C1=CC=CC(=C1)NN=C2C(=O)C3=C(C=CC(=C3)S(=O)(=O)O)NC2=O

DOS

IR

Vibrations