Geometry & MOs

Info

ID:	449167
PubChem CID:	135296506
Reduced:	SN4O9C32H40 (1)
Stoich.:	AB4C9D32E40 (1)
Weight, g/mol:	549.218761
ΔH_f, kcal/mol:	-341.72
Dipole, Da:	11.17
IP(EA), eV:	-9.53(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[5-[2-(2,4-difluorophenyl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(C1NC(=O)C2=CN=C(C=C2)OCCCOCCCOC3=CC4=C(C=C3)C(=O)N(S4(=O)=O)C5CCC(=O)NC5=O)(C)C)C

DOS

IR

Vibrations