Geometry & MOs

Info

ID:	173744
PubChem CID:	75677646
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	453.040131
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	4.63
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

8-(4-methoxyphenyl)-11-(4-methylphenyl)-10,12-dioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-5-thiolate

Drug info:

PubChemData

Smile

CON=CC1=CC=CC=C1OCC(=O)O

DOS

IR

Vibrations