Geometry & MOs

Info

ID:	50440
PubChem CID:	12012977
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	342.067428
ΔH_f, kcal/mol:	-151.79
Dipole, Da:	6.44
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-thia-11,18-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(18),3,5,7,13(17),15-hexaene-2,12-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCN3C(=NC4=CC(=C(C=C4C3=O)OC)OC)C2=O)OC

DOS

IR

Vibrations