Geometry & MOs

Info

ID:	174078
PubChem CID:	75720712
Reduced:	ClN2O2C28H41 (1)
Stoich.:	AB2C2D28E41 (1)
Weight, g/mol:	486.264921
ΔH_f, kcal/mol:	-110.47
Dipole, Da:	3.46
IP(EA), eV:	-9.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[1-(furan-2-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]oct-2-enamide

Drug info:

PubChemData

Smile

CCCC=CC(C(=O)NC(C)(C)C)N(C1=CC=CC=C1Cl)C(=O)C2CC3CC(C2C)C3(C)C

DOS

IR

Vibrations