Geometry & MOs

Info

ID:	313749
PubChem CID:	126617405
Reduced:	ClNO5C35H38 (1)
Stoich.:	ABC5D35E38 (1)
Weight, g/mol:	425.115775
ΔH_f, kcal/mol:	-159.4
Dipole, Da:	4.94
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=C(C(=C(N=C1C)C)C2=CC=C(C=C2)OCC3=CC=C(C=C3)OC)C4=CC=C(C=C4)Cl)OC(C)(C)C

DOS

IR

Vibrations