Geometry & MOs

Info

ID:	135290
PubChem CID:	51846505
Reduced:	N2O3C35H46 (1)
Stoich.:	A2B3C35D46 (1)
Weight, g/mol:	406.262028
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	4.96
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-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