Geometry & MOs

Info

ID:	313695
PubChem CID:	126617297
Reduced:	SO3N5C24H25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-23.96
Dipole, Da:	9.76
IP(EA), eV:	-8.91(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC=C(C=C2)OCC3=NC(=O)C4=C(N3)C(=NC=C4)C5=CSC(=N5)NCCO

DOS

IR

Vibrations