Geometry & MOs

Info

ID:	135289
PubChem CID:	51846504
Reduced:	N2O3C35H46 (1)
Stoich.:	A2B3C35D46 (1)
Weight, g/mol:	542.350843
ΔH_f, kcal/mol:	-106.23
Dipole, Da:	5.73
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-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=C(C=CC3=CC=CC=C32)OC)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations