Geometry & MOs

Info

ID:	326095
PubChem CID:	126686447
Reduced:	Cl2O3N5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	541.087979
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	3.95
IP(EA), eV:	-9.47(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-chloro-7-[4-[2-phenylethyl(trifluoromethyl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)NC3=C(C=NC=C3Cl)Cl)C(=O)N(C2=O)[C@@H]4C[C@H]4C5=CC=CC=C5

DOS

IR

Vibrations