Geometry & MOs

Info

ID:	407457
PubChem CID:	135080173
Reduced:	Cl2O2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	174.105608
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	0.9
IP(EA), eV:	-10.05(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,2S,5R)-5-fluoro-2-methylhex-3-enoate

Drug info:

PubChemData

Smile

CC1(OCC(O1)CC[C@H](CCl)Cl)C

DOS

IR

Vibrations