Geometry & MOs

Info

ID:

375700

PubChem CID:

134220859

Reduced:

S2N3O7C37H49 (1)

Stoich.:

A2B3C7D37E49 (1)

Weight, g/mol:

762.579189

ΔHf, kcal/mol:

-238.41

Dipole, Da:

10.78

IP(EA), eV:

 -8.66(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3S,4R)-1-[6-(6-aminohexoxymethyl)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-3,4-dihydroxypentan-2-yl]tetracosanamide

Drug info:

PubChemData

Smile

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@H](C(=C)/C=C\C=C/C)C(=O)NCC(=O)O)SC)C3=CC=CC=C3)CCCC

DOS

IR

Vibrations