Geometry & MOs

Info

ID:	173918
PubChem CID:	75697647
Reduced:	SCl2N2O2C17H19 (1)
Stoich.:	AB2C2D2E17F19 (1)
Weight, g/mol:	524.241741
ΔH_f, kcal/mol:	-22.97
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.982201
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-methyl-N-[2-oxo-1-[4-(trifluoromethyl)phenyl]-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

C1C[NH+](CC1NS(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations