Geometry & MOs

Info

ID:	174010
PubChem CID:	75712613
Reduced:	ClFN2O2C27H34 (1)
Stoich.:	ABC2D2E27F34 (1)
Weight, g/mol:	502.276234
ΔH_f, kcal/mol:	-136.35
Dipole, Da:	7.38
IP(EA), eV:	-9.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations