Geometry & MOs

Info

ID:

144526

PubChem CID:

53382108

Reduced:

SO3N4H12C15 (1)

Stoich.:

AB3C4D12E15 (1)

Weight, g/mol:

446.079038

ΔHf, kcal/mol:

-25.73

Dipole, Da:

8.29

IP(EA), eV:

 -9.66(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,20-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene-5,16-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations