Geometry & MOs

Info

ID:

163649

PubChem CID:

58106533

Reduced:

S2H10C19 (2)

Stoich.:

A2B10C19 (2)

Weight, g/mol:

530.231323

ΔHf, kcal/mol:

241.93

Dipole, Da:

0.18

IP(EA), eV:

 -8.22(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12,14-bis(5-ethoxypentyl)-4-methyl-3,13-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1(18),2(6),4,7(19),8,10(20),11,14,16-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(S2)C3=CC4=C(S3)C5=CC=C6C7=C(C8=C6C5=C4C=C8)SC(=C7)C9=CC=C(S9)C1=CC=CC=C1

DOS

IR

Vibrations