Geometry & MOs

Info

ID:	10503
PubChem CID:	103270
Reduced:	S2N4O9H18C24 (1)
Stoich.:	A2B4C9D18E24 (1)
Weight, g/mol:	570.051521
ΔH_f, kcal/mol:	-161.4
Dipole, Da:	1.8
IP(EA), eV:	-9.38(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations