Geometry & MOs

Info

ID:

144091

PubChem CID:

53310336

Reduced:

SO3N4H30C42 (1)

Stoich.:

AB3C4D30E42 (1)

Weight, g/mol:

403.07391

ΔHf, kcal/mol:

106.39

Dipole, Da:

5.48

IP(EA), eV:

 -8.78(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)-phenylmethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C(=C(OC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)NC5=CC=C(C=C5)C#N)S(=O)(=O)C6=CC=C(C=C6)NC7=CC=C(C=C7)C#N

DOS

IR

Vibrations