Geometry & MOs

Info

ID:	146890
PubChem CID:	53766260
Reduced:	SO2N4H8C9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	448.081297
ΔH_f, kcal/mol:	48.82
Dipole, Da:	8.01
IP(EA), eV:	-9.27(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-amino-4-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenyl]-ethylcarbamoyl] propanoate

Drug info:

PubChemData

Smile

CSC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations