Geometry & MOs

Info

ID:	134829
PubChem CID:	51765179
Reduced:	N3O3C27H37 (1)
Stoich.:	A3B3C27D37 (1)
Weight, g/mol:	474.362157
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	5.92
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-cyclohexyl-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC(=CC=C1)OC)C(=O)NC2CCCCC2)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations