Geometry & MOs

Info

ID:	326090
PubChem CID:	126686410
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	495.025237
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	3.81
IP(EA), eV:	-9.04(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-chloro-7-[4-[(4-chlorophenyl)-hydroxycarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCCC2=CC=CNC2=O

DOS

IR

Vibrations