Geometry & MOs

Info

ID:

169816

PubChem CID:

75154487

Reduced:

PO29C30H53 (1)

Stoich.:

AB29C30D53 (1)

Weight, g/mol:

1338.901628

ΔHf, kcal/mol:

-1359.09

Dipole, Da:

6.61

IP(EA), eV:

 -10.41(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-[[1-[1-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxypropan-2-ylamino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-hydroxydotriacontanamide

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3O)OC4C(C(OC(C4O)OC5C(OC(C(C5O)O)O)CO)COP(=O)(O)O)O)CO)O)CO)O)O)O)O)O

DOS

IR

Vibrations