Geometry & MOs

Info

ID:	232389
PubChem CID:	87576112
Reduced:	NC6H14 (2)
Stoich.:	AB6C14 (2)
Weight, g/mol:	447.240307
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	1.55
IP(EA), eV:	-8.17(2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-(decylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C(C)(C)C)C(C)(C)CN

DOS

IR

Vibrations