Geometry & MOs

Info

ID:	293329
PubChem CID:	117384654
Reduced:	ClFSO3C9H10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	252.055322
ΔH_f, kcal/mol:	-157.27
Dipole, Da:	5.02
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chloro-5-prop-1-en-2-ylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1CS(=O)(=O)Cl)CF

DOS

IR

Vibrations