Geometry & MOs

Info

ID:	174088
PubChem CID:	75721893
Reduced:	ClN2O3H27C29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	486.264921
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	6.69
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[3-ethyl-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pentan-2-yl]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)O)N(C3=CC=CC=C3Cl)C(=O)C#CC4=CC=CC=C4

DOS

IR

Vibrations