Geometry & MOs

Info

ID:	227445
PubChem CID:	87561765
Reduced:	O5C27H44 (1)
Stoich.:	A5B27C44 (1)
Weight, g/mol:	338.282095
ΔH_f, kcal/mol:	-204.37
Dipole, Da:	4.05
IP(EA), eV:	-9.38(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-16-[(3R)-3-ethyloxiran-2-yl]hexadec-11-enoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)OC(CO)CO

DOS

IR

Vibrations