Geometry & MOs

Info

ID:	428596
PubChem CID:	135167725
Reduced:	N4O8C45H54 (1)
Stoich.:	A4B8C45D54 (1)
Weight, g/mol:	475.09944
ΔH_f, kcal/mol:	-296.03
Dipole, Da:	8.12
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[3-(4-bromophenoxy)propoxy]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)OCCCOC5=CC6=C(CN(C6=O)C(C(C)C)C(=O)O)C=C5

DOS

IR

Vibrations