Geometry & MOs

Info

ID:	53508
PubChem CID:	14716393
Reduced:	ClSN2O4H7C11 (1)
Stoich.:	ABC2D4E7F11 (1)
Weight, g/mol:	1016.072392
ΔH_f, kcal/mol:	-62.64
Dipole, Da:	4.86
IP(EA), eV:	-9.32(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-benzoyl-2,3-bis[(3-diazonio-5-methoxy-4-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-8-methoxynaphthalen-1-olate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C(C=C(C(=C21)[O-])[N+]#N)S(=O)(=O)Cl

DOS

IR

Vibrations