Geometry & MOs

Info

ID:	386933
PubChem CID:	134983419
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	-250.29
Dipole, Da:	2.59
IP(EA), eV:	-9.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4Z,7Z,9E,11E)-12-[(2S,3S)-3-(4-ethoxy-4-oxobutyl)oxiran-2-yl]dodeca-4,7,9,11-tetraenoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2CC(=O)C(=C3COCC3=C2C1)C)C(=O)OCC

DOS

IR

Vibrations