Geometry & MOs

Info

ID:	439110
PubChem CID:	135228874
Reduced:	SO3N4C29H38 (1)
Stoich.:	AB3C4D29E38 (1)
Weight, g/mol:	312.127406
ΔH_f, kcal/mol:	-65.96
Dipole, Da:	4.44
IP(EA), eV:	-8.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)C1=CC=C(C=C1)CCCC(CCNC=O)C(CC2C3=CC=CC=C3C4=CN=CN24)O

DOS

IR

Vibrations