Geometry & MOs

Info

ID:	134994
PubChem CID:	51794886
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	414.207406
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	3.22
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(3-chlorophenyl)butanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC(=CC=C1)O)N(C2=CC(=CC=C2)Cl)C(=O)CCC

DOS

IR

Vibrations