Geometry & MOs

Info

ID:	134928
PubChem CID:	51784341
Reduced:	ClN2O3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	416.18667
ΔH_f, kcal/mol:	-128.82
Dipole, Da:	2.17
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=CC(=CC=C1)OC)N(C2=CC=CC=C2Cl)C(=O)C3CCCCC3

DOS

IR

Vibrations