Geometry & MOs

Info

ID:

48768

PubChem CID:

11528311

Reduced:

S3Si6C39H67 (2)

Stoich.:

A3B6C39D67 (2)

Weight, g/mol:

1652.134529

ΔHf, kcal/mol:

-311.81

Dipole, Da:

5.96

IP(EA), eV:

 -7.38(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,7,20,21,34,35-hexakis-decoxy-3,10,17,24,31,38-hexazaheptacyclo[38.2.2.212,15.226,29.04,9.018,23.032,37]octatetraconta-1,4,6,8,11,15,18,20,22,25,29,32,34,36,39,43,45,47-octadecaene-13,14,27,28,41,42-hexone

Drug info:

PubChemData

Smile

C[Si](C)(C)C(C1=CC(=C(C(=C1)C([Si](C)(C)C)[Si](C)(C)C)SC2=CC=CC=C2SC3=CC=CC=C3SSC4=CC=CC=C4SC5=CC=CC=C5SC6=C(C=C(C=C6C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C

DOS

IR

Vibrations