Geometry & MOs

Info

ID:	313705
PubChem CID:	126617307
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	461.072467
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	9.3
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NCCCO

DOS

IR

Vibrations