Geometry & MOs

Info

ID:	159473
PubChem CID:	57288107
Reduced:	NSO4C10H19 (1)
Stoich.:	ABC4D10E19 (1)
Weight, g/mol:	545.970887
ΔH_f, kcal/mol:	-203.52
Dipole, Da:	5.43
IP(EA), eV:	-9.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-methyl-2-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CC(C2N)O)S(=O)(=O)O

DOS

IR

Vibrations