Geometry & MOs

Info

ID:	135288
PubChem CID:	51846459
Reduced:	N2O2C27H36 (1)
Stoich.:	A2B2C27D36 (1)
Weight, g/mol:	542.350843
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	4.9
IP(EA), eV:	-9.09(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-phenyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C/C(=O)N(C1=CC=CC=C1)[C@@H](C2=CC=CC=C2C)C(=O)NCCCC

DOS

IR

Vibrations