Geometry & MOs

Info

ID:	2063
PubChem CID:	5696
Reduced:	N3S3H11O14C17 (1)
Stoich.:	A3B3C11D14E17 (1)
Weight, g/mol:	576.940316
ΔH_f, kcal/mol:	-338.15
Dipole, Da:	3.96
IP(EA), eV:	-10.76(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3,5-dinitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(C=C(C2=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations