Geometry & MOs

Info

ID:	58871
PubChem CID:	24715004
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-61.75
Dipole, Da:	4.78
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-2-methylpropyl)-propylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(CN(CC1=NC2=C(C(=C(S2)C)C)C(=O)N1)C3CC3)O

DOS

IR

Vibrations