Geometry & MOs

Info

ID:	1245
PubChem CID:	4038
Reduced:	NNaCl2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	316.998628
ΔH_f, kcal/mol:	-120.38
Dipole, Da:	6.48
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(2,6-dichloro-3-methylanilino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+]

DOS

IR

Vibrations