Geometry & MOs

Info

ID:	162643
PubChem CID:	57410895
Reduced:	ClO5H13C17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	418.217781
ΔH_f, kcal/mol:	-145.23
Dipole, Da:	2.36
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dodecylsulfanyl-5,8-dimethoxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC(=O)C1(C(C2=C(O1)C=CC(=C2)Cl)O)C(=O)OC3=CC=CC=C3

DOS

IR

Vibrations