Geometry & MOs

Info

ID:	326463
PubChem CID:	126687607
Reduced:	N3O8C17H33 (1)
Stoich.:	A3B8C17D33 (1)
Weight, g/mol:	534.330502
ΔH_f, kcal/mol:	-404.33
Dipole, Da:	1.74
IP(EA), eV:	-9.43(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,8Z,11Z,14Z,17Z)-N-[3-oxo-3-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propyl]icosa-5,8,11,14,17-pentaenamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O

DOS

IR

Vibrations