Geometry & MOs

Info

ID:	134950
PubChem CID:	51788796
Reduced:	ClN2O4C31H37 (1)
Stoich.:	AB2C4D31E37 (1)
Weight, g/mol:	446.197235
ΔH_f, kcal/mol:	-161.09
Dipole, Da:	5.88
IP(EA), eV:	-8.88(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(butylamino)-3-ethyl-1-oxopentan-2-yl]-N-(2-chlorophenyl)-2,6-dihydroxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C2=CC=CC=C2Cl)C(=O)C3=C(C=CC=C3O)O

DOS

IR

Vibrations