Geometry & MOs

Info

ID:	33638
PubChem CID:	7887298
Reduced:	SN2O3H12C18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	344.06532
ΔH_f, kcal/mol:	1.78
Dipole, Da:	1.99
IP(EA), eV:	-8.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations