Geometry & MOs

Info

ID:

47475

PubChem CID:

10533125

Reduced:

SiF3N4O7C38H45 (1)

Stoich.:

AB3C4D7E38F45 (1)

Weight, g/mol:

759.612537

ΔHf, kcal/mol:

-408.57

Dipole, Da:

8.81

IP(EA), eV:

 -8.89(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3R,4R,5S,6R)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyloctadecanamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1NC(=O)C(F)(F)F)N2C=CC(=NC2=O)N)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations