Geometry & MOs

Info

ID:

121475

PubChem CID:

50769860

Reduced:

FOS2N3H20C25 (1)

Stoich.:

ABC2D3E20F25 (1)

Weight, g/mol:

501.118084

ΔHf, kcal/mol:

18.07

Dipole, Da:

7.25

IP(EA), eV:

 -8.51(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-ethylphenyl)methyl]-4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-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

CC(CN1C(=O)C2=C(C3=C(S2)N=CC=C3)N=C1SCC4=CC=CC=C4F)C5=CC=CC=C5

DOS

IR

Vibrations