Geometry & MOs

Info

ID:	159841
PubChem CID:	57288808
Reduced:	ON2C5H12 (1)
Stoich.:	AB2C5D12 (1)
Weight, g/mol:	698.606055
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	1.44
IP(EA), eV:	-9.68(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R)-3,4,5-trihydroxy-6-octadecoxy-6-octadecyloxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CC1O)(N)N

DOS

IR

Vibrations