Geometry & MOs

Info

ID:	225599
PubChem CID:	85856299
Reduced:	ClO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	244.051778
ΔH_f, kcal/mol:	-165.13
Dipole, Da:	1.92
IP(EA), eV:	-9.89(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-methylsulfonylpyrimidin-4-yl)acetate

Drug info:

PubChemData

Smile

C1CCC(C(=O)CC1)C2(OCCO2)CCCCl

DOS

IR

Vibrations