Geometry & MOs

Info

ID:	169054
PubChem CID:	75059458
Reduced:	O4N6C15H17 (1)
Stoich.:	A4B6C15D17 (1)
Weight, g/mol:	781.111375
ΔH_f, kcal/mol:	-70.72
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.974664
Charge, e:	0

Chem-info

IUPAC name:

disodium;4-amino-3-[[4-[4-[(3,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)C(C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O

DOS

IR

Vibrations