Geometry & MOs

Info

ID:	135052
PubChem CID:	51805274
Reduced:	NOC11H20 (2)
Stoich.:	ABC11D20 (2)
Weight, g/mol:	364.308979
ΔH_f, kcal/mol:	-139.0
Dipole, Da:	2.99
IP(EA), eV:	-9.23(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(E,2S)-1-(tert-butylamino)-1-oxohept-3-en-2-yl]-N-propyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(CCC)[C@@H](/C=C/CCC)C(=O)NC(C)(C)C

DOS

IR

Vibrations