Geometry & MOs

Info

ID:	219980
PubChem CID:	85165109
Reduced:	O4N7C35H43 (1)
Stoich.:	A4B7C35D43 (1)
Weight, g/mol:	625.564525
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	5.89
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-(1,3,4-trihydroxydocos-9-en-2-yl)hexadecanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(CC1=CN=CN1)C(=O)N(C)C(CC2=CC3=CC=CC=C3C=C2)C(=O)N(C)C(CC4=CC=CC=C4)C(=O)NC)N

DOS

IR

Vibrations