Geometry & MOs

Info

ID:

179055

PubChem CID:

76427838

Reduced:

SN2F3O10C46H85 (1)

Stoich.:

AB2C3D10E46F85 (1)

Weight, g/mol:

800.594839

ΔHf, kcal/mol:

-759.25

Dipole, Da:

3.27

IP(EA), eV:

 -8.6(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3-amino-4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxobutan-2-yl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSC(C)(C)C(C(=O)NC(CO)C(=O)OC)N)OC(=O)CCCCCCCCCCCCCCC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations