Geometry & MOs

Info

ID:

44647

PubChem CID:

10504956

Reduced:

N2Na2S2O8H12C17 (1)

Stoich.:

A2B2C2D8E12F17 (1)

Weight, g/mol:

483.219178

ΔHf, kcal/mol:

-303.81

Dipole, Da:

32.88

IP(EA), eV:

 -8.58(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 11-(diethylaminomethyl)-13-(3,4-dimethoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations