Geometry & MOs

Info

ID:	313709
PubChem CID:	126617311
Reduced:	ClFSO3N5H19C22 (1)
Stoich.:	ABCD3E5F19G22 (1)
Weight, g/mol:	388.019703
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	7.13
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CNC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations