Geometry & MOs

Info

ID:

214900

PubChem CID:

85083818

Reduced:

SN6O7C31H36 (1)

Stoich.:

AB6C7D31E36 (1)

Weight, g/mol:

636.335706

ΔHf, kcal/mol:

-253.68

Dipole, Da:

5.73

IP(EA), eV:

 -8.42(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[5-(acetyloxymethyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(5-methylheptanoyloxy)oxan-4-yl] 5-methylheptanoate

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC(C3C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)S

DOS

IR

Vibrations