Geometry & MOs

Info

ID:	134636
PubChem CID:	51732565
Reduced:	ClN2O2C31H41 (1)
Stoich.:	AB2C2D31E41 (1)
Weight, g/mol:	512.280571
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	4.04
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)CCC4CCCCC4

DOS

IR

Vibrations