Geometry & MOs

Info

ID:	146133
PubChem CID:	53641705
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	440.309059
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	1.47
IP(EA), eV:	-8.99(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 4-[1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate

Drug info:

PubChemData

Smile

CN(C)C(=O)N=C(N(C)C(=O)NC1=CC=CC=C1)SC

DOS

IR

Vibrations