Geometry & MOs

Info

ID:	386898
PubChem CID:	134983297
Reduced:	SO4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	544.125453
ΔH_f, kcal/mol:	-177.83
Dipole, Da:	7.7
IP(EA), eV:	-8.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCC(=O)/C=C\1/[C@H]([C@H](C=CS1)O)C/C=C\CCCC(=O)O

DOS

IR

Vibrations