Geometry & MOs

Info

ID:	151380
PubChem CID:	53801168
Reduced:	F2N4O6C37H38 (1)
Stoich.:	A2B4C6D37E38 (1)
Weight, g/mol:	450.084371
ΔH_f, kcal/mol:	-249.51
Dipole, Da:	4.82
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-chloro-2-fluoro-3-(2-nitrobenzoyl)-4-(trifluoromethyl)phenoxy]-(ethylamino)-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=N2)C(=O)C(C(=O)NCC3=CC=CC=C3)(F)F)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations