Geometry & MOs

Info

ID:	185431
PubChem CID:	77300041
Reduced:	NF3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	491.076324
ΔH_f, kcal/mol:	-309.76
Dipole, Da:	3.09
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC2C1CC3=C(C2)C(=C(C=C3)OC(=O)C(F)(F)F)OC(=O)C

DOS

IR

Vibrations