Geometry & MOs

Info

ID:	444197
PubChem CID:	135261675
Reduced:	SO2N6H16C24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	133.94
Dipole, Da:	8.56
IP(EA), eV:	-8.74(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations