Geometry & MOs

Info

ID:

163638

PubChem CID:

58106484

Reduced:

OSH20C25 (2)

Stoich.:

ABC20D25 (2)

Weight, g/mol:

316.038043

ΔHf, kcal/mol:

94.5

Dipole, Da:

0.62

IP(EA), eV:

 -8.11(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-ethyl-3,12-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,4,6,8,10,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=C3C4=C5C(=CC=C6C5=C(C=C4)C7=C(SC(=C67)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C3=C(S2)C1=CC=C(C=C1)OCCC

DOS

IR

Vibrations