Geometry & MOs

Info

ID:	324842
PubChem CID:	126678457
Reduced:	NO7C39H57 (1)
Stoich.:	AB7C39D57 (1)
Weight, g/mol:	493.319209
ΔH_f, kcal/mol:	-300.68
Dipole, Da:	3.9
IP(EA), eV:	-8.92(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-1-(3,4-dihydroxyphenyl)-3-methoxybut-3-en-2-yl]icosa-5,8,11,14,17-pentaenamide

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC(C)OC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations