Geometry & MOs

Info

ID:	174080
PubChem CID:	75720887
Reduced:	ClN2O3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	510.160761
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	4.51
IP(EA), eV:	-9.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-(2-chlorophenyl)-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCCCC=CC(=O)N(C1=CC=CC=C1Cl)C(C2=CC=CO2)C(=O)NCCCC

DOS

IR

Vibrations