Geometry & MOs

Info

ID:

222653

PubChem CID:

85307671

Reduced:

N2Si2O13C48H94 (1)

Stoich.:

A2B2C13D48E94 (1)

Weight, g/mol:

973.410937

ΔHf, kcal/mol:

-740.4

Dipole, Da:

3.94

IP(EA), eV:

 -8.74(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[6-(azidomethyl)-5-hydroxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4-bis(phenylmethoxymethoxy)oxolan-2-yl]-3-(phenylmethoxymethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=NO[Si](C)(C)C(C)(C)C(C)C)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O[Si](C)(C)C)(C)O)C)C)O)(C)O

DOS

IR

Vibrations