Geometry & MOs

Info

ID:	313687
PubChem CID:	126617266
Reduced:	OSN6C19H24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	500.119751
ΔH_f, kcal/mol:	34.72
Dipole, Da:	8.29
IP(EA), eV:	-8.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)CNC2=NC(=CS2)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations