Geometry & MOs

Info

ID:	163182
PubChem CID:	57654127
Reduced:	S2N4O9C18H20 (1)
Stoich.:	A2B4C9D18E20 (1)
Weight, g/mol:	758.9917
ΔH_f, kcal/mol:	-169.41
Dipole, Da:	7.7
IP(EA), eV:	-9.24(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-[8-amino-1-oxo-3,6-disulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-ylidene]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(/C(=N/NC2=C(C=C(C=C2)CCCOSOOO)S(=O)(=O)O)/C1=O)C)C#N

DOS

IR

Vibrations