Geometry & MOs

Info

ID:	294685
PubChem CID:	117481059
Reduced:	ClFSO5C10H12 (1)
Stoich.:	ABCD5E10F12 (1)
Weight, g/mol:	298.060801
ΔH_f, kcal/mol:	-223.37
Dipole, Da:	5.2
IP(EA), eV:	-8.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)CS(=O)(=O)Cl)OC)F

DOS

IR

Vibrations