Geometry & MOs

Info

ID:	313688
PubChem CID:	126617269
Reduced:	ClFSO2N6H22C23 (1)
Stoich.:	ABCD2E6F22G23 (1)
Weight, g/mol:	431.086367
ΔH_f, kcal/mol:	-20.67
Dipole, Da:	5.4
IP(EA), eV:	-8.97(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-difluorophenoxy)methyl]-8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations