Geometry & MOs

Info

ID:	326451
PubChem CID:	126687585
Reduced:	NS2O3C10H19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	602.393102
ΔH_f, kcal/mol:	-163.55
Dipole, Da:	4.91
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-4-methyl-1-oxo-1-[[(2R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]pentan-2-yl]docosa-4,7,10,13,16,19-hexaenamide

Drug info:

PubChemData

Smile

CCCSSCCNC(=O)CCCC(=O)O

DOS

IR

Vibrations