Geometry & MOs

Info

ID:	158956
PubChem CID:	57244294
Reduced:	SC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	419.126991
ΔH_f, kcal/mol:	-36.35
Dipole, Da:	2.73
IP(EA), eV:	-8.93(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[7-(1,3-dioxoisoindol-2-yl)-4-methylquinolin-2-yl]-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCC(CCCS)S

DOS

IR

Vibrations