Geometry & MOs

Info

ID:	25529
PubChem CID:	626250
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	340.113316
ΔH_f, kcal/mol:	17.81
Dipole, Da:	3.37
IP(EA), eV:	-8.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-methylsulfanylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C3C=C(C=CC3=[N+]2[O-])N4CCCCC4

DOS

IR

Vibrations