Geometry & MOs

Info

ID:	313684
PubChem CID:	126617241
Reduced:	SCl2O3N5H15C19 (1)
Stoich.:	AB2C3D5E15F19 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	10.14
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-(phenylmethoxymethyl)-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NCCO)Cl)Cl

DOS

IR

Vibrations