Geometry & MOs

Info

ID:

215366

PubChem CID:

85084624

Reduced:

Si3N6O7C42H64 (1)

Stoich.:

A3B6C7D42E64 (1)

Weight, g/mol:

850.520668

ΔHf, kcal/mol:

-289.7

Dipole, Da:

6.25

IP(EA), eV:

 -8.87(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-[5-(8-hexyl-1,3-dioxocan-4-yl)oxolan-2-yl]oxolan-2-yl]-13-(2-methyl-5-oxo-2H-furan-4-yl)tridecyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N(CC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations