Geometry & MOs

Info

ID:	444243
PubChem CID:	135261844
Reduced:	O4N5C43H45 (1)
Stoich.:	A4B5C43D45 (1)
Weight, g/mol:	515.121415
ΔH_f, kcal/mol:	-42.41
Dipole, Da:	4.72
IP(EA), eV:	-8.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,4-difluorophenyl)-1,3-dioxoisoindol-5-yl]oxypentyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)OCCCN5CCN(CC5)C6=CC=C(C=C6)C7=CN(N=C7)C8CCC(=O)NC8=O

DOS

IR

Vibrations