Geometry & MOs

Info

ID:	227469
PubChem CID:	87561811
Reduced:	O3C11H18 (2)
Stoich.:	A3B11C18 (2)
Weight, g/mol:	324.266445
ΔH_f, kcal/mol:	-308.53
Dipole, Da:	3.78
IP(EA), eV:	-9.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-16-[(2R)-3-ethyloxiran-2-yl]hexadec-11-enoic acid

Drug info:

PubChemData

Smile

CCCC(CC[C@@H]1CC[C@H]2[C@H](C[C@H]([C@@H]2C=O)OC3CCCCO3)OC1)C(=O)O

DOS

IR

Vibrations