Geometry & MOs

Info

ID:	313686
PubChem CID:	126617249
Reduced:	ClFSO3N5H15C23 (1)
Stoich.:	ABCD3E5F15G23 (1)
Weight, g/mol:	384.173231
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	4.8
IP(EA), eV:	-8.73(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl)O

DOS

IR

Vibrations