Geometry & MOs

Info

ID:	407805
PubChem CID:	135080560
Reduced:	F3O4C6H9 (1)
Stoich.:	A3B4C6D9 (1)
Weight, g/mol:	224.037085
ΔH_f, kcal/mol:	-341.26
Dipole, Da:	1.9
IP(EA), eV:	-11.22(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,6R,7S)-6,7-dichlorooct-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C(F)(F)F)O)O

DOS

IR

Vibrations