Geometry & MOs

Info

ID:	243248
PubChem CID:	99217842
Reduced:	F2N4O5C22H22 (1)
Stoich.:	A2B4C5D22E22 (1)
Weight, g/mol:	381.075882
ΔH_f, kcal/mol:	-161.6
Dipole, Da:	7.32
IP(EA), eV:	-9.22(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@H]3CCCCN3C(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC(F)F)OC

DOS

IR

Vibrations