Geometry & MOs

Info

ID:	190696
PubChem CID:	78043479
Reduced:	SO2F3N6C20H27 (1)
Stoich.:	AB2C3D6E20F27 (1)
Weight, g/mol:	490.157581
ΔH_f, kcal/mol:	-184.71
Dipole, Da:	12.64
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(NNC1NC2=NC(=NC=C2)NC3=CC(=CC(=C3)C(F)(F)F)S(=O)(=O)C(C)(C)C)C

DOS

IR

Vibrations