Geometry & MOs

Info

ID:	404196
PubChem CID:	135065381
Reduced:	N4C96H117 (2)
Stoich.:	A4B96C117 (2)
Weight, g/mol:	279.090686
ΔH_f, kcal/mol:	274.39
Dipole, Da:	8.8
IP(EA), eV:	-7.65(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-3-methylbutanoate

Drug info:

Smile

CCCCCCCCCCCCC1=CC2=C3C(=C4C=C(C5=CC=CC6=C7C=CC=C1C7=C2C4=C65)CCCCCCCCCCCC)C8=NC9=NC(=NC1=C2C4=C5C6=C(C=CC=C6C(=C4)CCCCCCCCCCCC)C4=C6C5=C(C2=C(N1)N=C1C2=C5C=C(C7=CC=CC%10=C%11C=CC=C%12C%11=C(C5=C%107)C(=C2C(=N1)N=C3N8)C=C%12CCCCCCCCCCCC)CCCCCCCCCCCC)C=C(C6=CC=C4)CCCCCCCCCCCC)C1=C2C=C(C3=CC=CC4=C5C=CC=C6C5=C(C2=C43)C(=C19)C=C6CCCCCCCCCCCC)CCCCCCCCCCCC

DOS

IR

Vibrations