Geometry & MOs

Info

ID:	313713
PubChem CID:	126617316
Reduced:	ClFSO3N5H17C20 (1)
Stoich.:	ABCD3E5F17G20 (1)
Weight, g/mol:	461.072467
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	7.01
IP(EA), eV:	-8.84(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COC4=CC(=C(C=C4)F)Cl)O

DOS

IR

Vibrations