Geometry & MOs

Info

ID:	1447
PubChem CID:	4464
Reduced:	N2S3H12O12C17 (1)
Stoich.:	A2B3C12D12E17 (1)
Weight, g/mol:	531.955237
ΔH_f, kcal/mol:	-337.26
Dipole, Da:	5.84
IP(EA), eV:	-10.23(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations