Geometry & MOs

Info

ID:	176581
PubChem CID:	76069474
Reduced:	O8C27H38 (1)
Stoich.:	A8B27C38 (1)
Weight, g/mol:	620.476438
ΔH_f, kcal/mol:	-356.77
Dipole, Da:	6.94
IP(EA), eV:	-8.88(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(octadec-9-enoylamino)cyclohexyl]-(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2CCC(C2C(=CCCOC3=CC=CC=C3)OC4CCCCO4)(CC(=O)O)O

DOS

IR

Vibrations