Geometry & MOs

Info

ID:	226993
PubChem CID:	87559485
Reduced:	FO3S4N5C18H22 (1)
Stoich.:	AB3C4D5E18F22 (1)
Weight, g/mol:	554.45464
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	2.01
IP(EA), eV:	-9.05(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-decanoyl-11,12-dihydroxy-12-(hydroxymethyl)docosane-10,13-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SC2=C(C=C(C=C2)F)COC(=S)NN)CSC(=N)N

DOS

IR

Vibrations