Geometry & MOs

Info

ID:

220115

PubChem CID:

85165260

Reduced:

NSiO6C39H47 (1)

Stoich.:

ABC6D39E47 (1)

Weight, g/mol:

653.067906

ΔHf, kcal/mol:

-225.33

Dipole, Da:

6.02

IP(EA), eV:

 -8.9(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,5-bis(tert-butylsulfanyl)-10-phenyl-3,7-dithiophen-2-yl-4,13-dithia-10-azatetracyclo[5.5.1.02,6.08,12]trideca-2,5-diene-9,11-dione

Drug info:

PubChemData

Smile

CC1C2C(N(C(=O)C23C(C=CCCC(=O)C(C=CC3OC(=O)C)(C)O)C=C1C[Si](C)(C)C)C(=O)C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations