Geometry & MOs

Info

ID:	263031
PubChem CID:	103335167
Reduced:	OS2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	315.08639
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	3.53
IP(EA), eV:	-8.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC2=C(C=C(S2)CC)C(=N1)SC(C)CCO

DOS

IR

Vibrations