Geometry & MOs

Info

ID:	162644
PubChem CID:	57410899
Reduced:	SO4C24H34 (1)
Stoich.:	AB4C24D34 (1)
Weight, g/mol:	402.186481
ΔH_f, kcal/mol:	-150.84
Dipole, Da:	4.7
IP(EA), eV:	-8.71(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-methoxy-5,8-dioxo-7-undecan-2-ylnaphthalen-1-yl) methanethioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC1=CC(=O)C2=C(C=CC(=C2C1=O)OC)OC

DOS

IR

Vibrations