Geometry & MOs

Info

ID:

215263

PubChem CID:

85084451

Reduced:

BrSi2O5C41H75 (1)

Stoich.:

AB2C5D41E75 (1)

Weight, g/mol:

784.367042

ΔHf, kcal/mol:

-448.08

Dipole, Da:

5.3

IP(EA), eV:

 -8.81(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[3-[[amino-(4-fluorophenyl)methylidene]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-5-(undecanoylamino)oxan-3-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(CCC(C(C)(C)O)O[Si](C)(C)C(C)(C)C)C1CCC2C1(CC(C3C2C(C=C4C3(CCC(C4)O[Si](C)(C)C(C)(C)C)C)Br)OC(=O)C)C

DOS

IR

Vibrations