Geometry & MOs

Info

ID:	291986
PubChem CID:	114000298
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	294.04967
ΔH_f, kcal/mol:	-122.6
Dipole, Da:	3.27
IP(EA), eV:	-9.3(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)cyclopropyl]acetate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CS(=O)(=O)CC2(CC2)CC(=O)OC

DOS

IR

Vibrations