Geometry & MOs

Info

ID:	432484
PubChem CID:	135172617
Reduced:	FN3O5C23H34 (1)
Stoich.:	AB3C5D23E34 (1)
Weight, g/mol:	686.233882
ΔH_f, kcal/mol:	-229.45
Dipole, Da:	2.34
IP(EA), eV:	-9.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenyl] 4-[4-(5,5,5-trifluoropentyl)phenyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCCCCCCF)C=C2)C(=O)NO

DOS

IR

Vibrations