Geometry & MOs

Info

ID:

215340

PubChem CID:

85084567

Reduced:

SN9O12C34H61 (1)

Stoich.:

AB9C12D34E61 (1)

Weight, g/mol:

819.560896

ΔHf, kcal/mol:

-597.58

Dipole, Da:

8.8

IP(EA), eV:

 -8.78(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCSC)N

DOS

IR

Vibrations