Geometry & MOs

Info

ID:	189826
PubChem CID:	77910133
Reduced:	ClNO2F3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	1020.879317
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	2.5
IP(EA), eV:	-9.65(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-[(4-octyltriazol-1-yl)methyl]oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(C=C2)C=CC(=O)NO)Cl)C(F)(F)F

DOS

IR

Vibrations