Geometry & MOs

Info

ID:	145896
PubChem CID:	53608445
Reduced:	ClSO4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	4.1
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

COC(=O)CSC1=C(C=C2C(=C1)OCCO2)Cl

DOS

IR

Vibrations