Geometry & MOs

Info

ID:	314601
PubChem CID:	126622419
Reduced:	F3O3N8H25C28 (1)
Stoich.:	A3B3C8D25E28 (1)
Weight, g/mol:	399.147058
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	6.38
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxoisoindol-2-yl)-5-(4-phenylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

COCCC(=O)NC1=NC=CC(=C1)NC2=C3C(=NC(=N2)C4=NC(=CC=C4)C(F)(F)F)N(C=N3)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations