Geometry & MOs

Info

ID:	37445
PubChem CID:	8021128
Reduced:	ClNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	410.068092
ΔH_f, kcal/mol:	-129.62
Dipole, Da:	5.05
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)O[C@H](C)C(=O)N(C)C2=CC=CC=C2

DOS

IR

Vibrations