Geometry & MOs

Info

ID:	313717
PubChem CID:	126617320
Reduced:	SO4N5H11C13 (1)
Stoich.:	AB4C5D11E13 (1)
Weight, g/mol:	429.066238
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	4.85
IP(EA), eV:	-9.14(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1C(=O)N=C(N2)C(=O)O)C3=CSC(=N3)NCCO

DOS

IR

Vibrations