Geometry & MOs

Info

ID:	163587
PubChem CID:	58053085
Reduced:	S2N3O3C29H43 (1)
Stoich.:	A2B3C3D29E43 (1)
Weight, g/mol:	493.138619
ΔH_f, kcal/mol:	-117.59
Dipole, Da:	7.74
IP(EA), eV:	-8.34(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=S)NCC)CCCC

DOS

IR

Vibrations