Geometry & MOs

Info

ID:	313739
PubChem CID:	126617371
Reduced:	SCl2O3N5H15C19 (1)
Stoich.:	AB2C3D5E15F19 (1)
Weight, g/mol:	488.119751
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	8.18
IP(EA), eV:	-8.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NCCO

DOS

IR

Vibrations