Geometry & MOs

Info

ID:	171015
PubChem CID:	75312249
Reduced:	I2O9C12H20 (1)
Stoich.:	A2B9C12D20 (1)
Weight, g/mol:	686.169602
ΔH_f, kcal/mol:	-379.38
Dipole, Da:	1.54
IP(EA), eV:	-10.01(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[4-[[2,6-diamino-3-[(4-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)I)I)O)O)O

DOS

IR

Vibrations