Geometry & MOs

Info

ID:	134637
PubChem CID:	51732721
Reduced:	ClN2O3C30H41 (1)
Stoich.:	AB2C3D30E41 (1)
Weight, g/mol:	524.316956
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	1.97
IP(EA), eV:	-9.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]oct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(C1=CC(=CC=C1)Cl)[C@@H](C2=CC(=CC=C2)O)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations