Geometry & MOs

Info

ID:	421682
PubChem CID:	135116418
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	359.120272
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	2.65
IP(EA), eV:	-8.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[2-(4-fluorophenyl)sulfonylethyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3(CC3)C4=CC=CC=C4)CO

DOS

IR

Vibrations