Geometry & MOs

Info

ID:	326086
PubChem CID:	126686398
Reduced:	FCl2O3N4H19C22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	617.05395
ΔH_f, kcal/mol:	-106.95
Dipole, Da:	3.88
IP(EA), eV:	-9.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations