Geometry & MOs

Info

ID:	190698
PubChem CID:	78043969
Reduced:	SO2N5H23C29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	506.152495
ΔH_f, kcal/mol:	75.64
Dipole, Da:	2.56
IP(EA), eV:	-8.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methoxypyridin-4-yl)-2-phenyl-3-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C(=CC=C2)C3=CC=CC=C3OC)C(=O)N1C4=CC=CC=C4)NC5=C6C(=NC=N5)SC=N6

DOS

IR

Vibrations