Geometry & MOs

Info

ID:	18074
PubChem CID:	536635
Reduced:	SO6C28H38 (1)
Stoich.:	AB6C28D38 (1)
Weight, g/mol:	502.23891
ΔH_f, kcal/mol:	-269.31
Dipole, Da:	3.88
IP(EA), eV:	-8.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-diacetyloxy-3-dodecylsulfanylnaphthalen-1-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=C1OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations