Geometry & MOs

Info

ID:	63392
PubChem CID:	26758230
Reduced:	N2O5C16H18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	454.054334
ΔH_f, kcal/mol:	-187.92
Dipole, Da:	6.08
IP(EA), eV:	-9.81(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H](C)OC(=O)CN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations