Geometry & MOs

Info

ID:	32351
PubChem CID:	6436669
Reduced:	O7C32H46 (1)
Stoich.:	A7B32C46 (1)
Weight, g/mol:	342.259252
ΔH_f, kcal/mol:	-313.68
Dipole, Da:	7.24
IP(EA), eV:	-9.27(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylethyl (E)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCC1C(CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/CC(/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)C

DOS

IR

Vibrations