Geometry & MOs

Info

ID:	190697
PubChem CID:	78043968
Reduced:	OSN6H22C28 (1)
Stoich.:	ABC6D22E28 (1)
Weight, g/mol:	505.157246
ΔH_f, kcal/mol:	114.44
Dipole, Da:	4.17
IP(EA), eV:	-8.93(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC=CC3=C2C(=O)N(C(=C3)C(C)NC4=C5C(=NC=N4)SC=N5)C6=CC=CC=C6

DOS

IR

Vibrations