Geometry & MOs

Info

ID:	313697
PubChem CID:	126617299
Reduced:	ClFSO2N6H20C22 (1)
Stoich.:	ABCD2E6F20G22 (1)
Weight, g/mol:	420.173231
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	6.97
IP(EA), eV:	-8.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]-2-(2-phenylethyl)-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CNCCC1NC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations