Geometry & MOs

Info

ID:	328425
PubChem CID:	126722981
Reduced:	NSO2C17H35 (1)
Stoich.:	ABC2D17E35 (1)
Weight, g/mol:	587.429822
ΔH_f, kcal/mol:	-159.36
Dipole, Da:	3.01
IP(EA), eV:	-8.83(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(7Z,10Z,13Z,16Z,19Z)-9-[(2S)-2,6-diaminohexanoyl]oxydocosa-7,10,13,16,19-pentaenoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)CCCCCCCCCCSCCO

DOS

IR

Vibrations