Geometry & MOs

Info

ID:	185434
PubChem CID:	77300044
Reduced:	O3N7C27H29 (1)
Stoich.:	A3B7C27D29 (1)
Weight, g/mol:	491.076324
ΔH_f, kcal/mol:	48.33
Dipole, Da:	4.94
IP(EA), eV:	-8.98(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-4-[2-oxo-2-[3-(tetrazolidin-5-ylmethoxy)anilino]ethoxy]naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(=C1C=C(C=NC1=O)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N)C

DOS

IR

Vibrations