Geometry & MOs

Info

ID:

181880

PubChem CID:

76808746

Reduced:

N7O17C43H79 (1)

Stoich.:

A7B17C43D79 (1)

Weight, g/mol:

728.357898

ΔHf, kcal/mol:

-826.66

Dipole, Da:

5.96

IP(EA), eV:

 -9.08(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-8-(ethylamino)non-8-enamide

Drug info:

PubChemData

Smile

CCNC(=O)CCCCCNC(=O)CN(CC(=O)NCCCCCC(=C)NCCOC1C(C(C(C(O1)CO)O)O)O)CC(=O)NCCCCCC(=O)NCCOC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations