Geometry & MOs

Info

ID:	33717
PubChem CID:	7887703
Reduced:	FN2O5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	408.208279
ΔH_f, kcal/mol:	-221.54
Dipole, Da:	5.78
IP(EA), eV:	-9.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC(=O)NCC=C)F

DOS

IR

Vibrations