Geometry & MOs

Info

ID:	313711
PubChem CID:	126617313
Reduced:	SO3N5H27C28 (1)
Stoich.:	AB3C5D27E28 (1)
Weight, g/mol:	481.157246
ΔH_f, kcal/mol:	4.23
Dipole, Da:	6.61
IP(EA), eV:	-8.87(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzylphenoxy)methyl]-8-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=NC(=O)C4=C(N3)C(=NC=C4)C5=CSC(=N5)NCCO

DOS

IR

Vibrations