Geometry & MOs

Info

ID:	313726
PubChem CID:	126617343
Reduced:	ClFSO2N5H19C21 (1)
Stoich.:	ABCD2E5F19G21 (1)
Weight, g/mol:	388.019703
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	7.84
IP(EA), eV:	-8.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations