Geometry & MOs

Info

ID:	313685
PubChem CID:	126617243
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	495.056816
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	10.08
IP(EA), eV:	-8.89(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COCC4=CC=CC=C4

DOS

IR

Vibrations