Geometry & MOs

Info

ID:	36325
PubChem CID:	8001673
Reduced:	FOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	266.054755
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	3.82
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)F)OC

DOS

IR

Vibrations