Geometry & MOs

Info

ID:	134790
PubChem CID:	51755810
Reduced:	ClN2O2C27H43 (1)
Stoich.:	AB2C2D27E43 (1)
Weight, g/mol:	514.355929
ΔH_f, kcal/mol:	-147.51
Dipole, Da:	4.02
IP(EA), eV:	-9.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenanthren-9-ylethyl]-N-hexyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)Cl)C(=O)NCCCC)C(=O)CCC2CCCCC2

DOS

IR

Vibrations