Geometry & MOs

Info

ID:

219330

PubChem CID:

85098778

Reduced:

S2C25H36 (2)

Stoich.:

A2B25C36 (2)

Weight, g/mol:

803.565981

ΔHf, kcal/mol:

47.23

Dipole, Da:

3.45

IP(EA), eV:

 -8.23(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-(tetradecanoylamino)oxan-2-yl]amino]-4-oxo-2-(tetradecanoylamino)butanoate

Drug info:

PubChemData

Smile

CCCCC1=C(SC(=C1CCCC)SCCCC)C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=C(C(=C(S2)SCCCC)CCCC)CCCC

DOS

IR

Vibrations