Geometry & MOs

Info

ID:	52266
PubChem CID:	12015077
Reduced:	O2F3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	278.169351
ΔH_f, kcal/mol:	-240.74
Dipole, Da:	4.4
IP(EA), eV:	-10.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S,3R)-3-(difluoromethyl)-2-methoxyundec-4-enoate

Drug info:

PubChemData

Smile

CCCCCC[C@H](/C=C/C(F)(F)F)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations