Geometry & MOs

Info

ID:

121481

PubChem CID:

50770006

Reduced:

ClS2N3O3H16C24 (1)

Stoich.:

AB2C3D3E16F24 (1)

Weight, g/mol:

459.107519

ΔHf, kcal/mol:

0.57

Dipole, Da:

5.35

IP(EA), eV:

 -8.69(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C5=C(S4)N=CC=C5)N=C3SCC6=CC=C(C=C6)Cl

DOS

IR

Vibrations