Geometry & MOs

Info

ID:	449986
PubChem CID:	135302985
Reduced:	O2N3C28H37 (1)
Stoich.:	A2B3C28D37 (1)
Weight, g/mol:	458.070126
ΔH_f, kcal/mol:	-38.15
Dipole, Da:	4.79
IP(EA), eV:	-8.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formyl-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C)[C@@H](CNC(=O)[C@H]2CCC(CCC23CC3)/C(=C/C=C)/C4=C(NC=C4)C)O

DOS

IR

Vibrations