Geometry & MOs

Info

ID:

215376

PubChem CID:

85084640

Reduced:

O13C48H74 (1)

Stoich.:

A13B48C74 (1)

Weight, g/mol:

858.690847

ΔHf, kcal/mol:

-509.79

Dipole, Da:

2.45

IP(EA), eV:

 -9.25(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxydocosanamide

Drug info:

PubChemData

Smile

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC=CC(C)CC3=CC=CC=C3)OC(C)(C)OC

DOS

IR

Vibrations