Geometry & MOs

Info

ID:	150491
PubChem CID:	53790183
Reduced:	F3N3O5C28H34 (1)
Stoich.:	A3B3C5D28E34 (1)
Weight, g/mol:	580.506675
ΔH_f, kcal/mol:	-296.51
Dipole, Da:	11.96
IP(EA), eV:	-7.12(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12R)-12-(12-hydroxyoctadecanoyloxy)octadec-9-enoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations