Geometry & MOs

Info

ID:

150127

PubChem CID:

53789813

Reduced:

N3S3C7H11 (1)

Stoich.:

A3B3C7D11 (1)

Weight, g/mol:

1566.633987

ΔHf, kcal/mol:

44.12

Dipole, Da:

3.16

IP(EA), eV:

-8.81(-0.44)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

23,24,25,26,32,33,34,35-octafluoro-5-N,6-N,7-N,8-N,14-N,15-N,16-N,40-N-octakis(2-fluorophenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracont-9-ene-5,6,7,8,14,15,16,40-octamine

Drug info:

PubChemData

Smile

C1=CN=C(N1)CSCCSC(=S)N

DOS

IR

Vibrations