Geometry & MOs

Info

ID:	174011
PubChem CID:	75712614
Reduced:	ClFN2O2C29H40 (1)
Stoich.:	ABC2D2E29F40 (1)
Weight, g/mol:	446.213634
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	4.27
IP(EA), eV:	-9.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)Cl)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations