Geometry & MOs

Info

ID:	280665
PubChem CID:	103850569
Reduced:	FSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	281.235479
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	4.5
IP(EA), eV:	-9.67(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations