Geometry & MOs

Info

ID:	147892
PubChem CID:	53787551
Reduced:	FSO9C28H39 (1)
Stoich.:	ABC9D28E39 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-438.74
Dipole, Da:	6.74
IP(EA), eV:	-9.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-formylphenyl)octanamide

Drug info:

PubChemData

Smile

CCCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CC(=C4[C@@]3(C=CC(=O)C4)C)F)O)C)C(=O)COS(=O)(=O)C

DOS

IR

Vibrations