Geometry & MOs

Info

ID:	33991
PubChem CID:	7889313
Reduced:	N2S2O3H10C13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	314.054755
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	1.58
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations