Geometry & MOs

Info

ID:

143999

PubChem CID:

53296465

Reduced:

SO3N4H18C24 (1)

Stoich.:

AB3C4D18E24 (1)

Weight, g/mol:

436.120526

ΔHf, kcal/mol:

45.24

Dipole, Da:

5.67

IP(EA), eV:

 -8.26(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(C=C2C)C(=C(S3)C(=O)C4=C(ON=[N+]4C5=CC=CC=C5)[O-])N

DOS

IR

Vibrations