Geometry & MOs

Info

ID:	263750
PubChem CID:	103395279
Reduced:	ClFSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	240.116173
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	6.27
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-(2-fluoro-4-methoxyphenyl)butan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)CSC2=CC=CC=C2Cl)F

DOS

IR

Vibrations