Geometry & MOs

Info

ID:	184977
PubChem CID:	77236601
Reduced:	ClFN7C33H45 (1)
Stoich.:	ABC7D33E45 (1)
Weight, g/mol:	509.164994
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	5.21
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]-3-hydroxypentanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CCNC2C3CC4CC2CC(C4)(C3)CNC5=NC(=NC=C5C#N)NCC6=CC=CC=C6Cl)CCCF

DOS

IR

Vibrations