Geometry & MOs

Info

ID:	63393
PubChem CID:	26758234
Reduced:	ClN2F3O5H14C20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	454.054334
ΔH_f, kcal/mol:	-317.62
Dipole, Da:	4.39
IP(EA), eV:	-9.36(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations