Geometry & MOs

Info

ID:

47468

PubChem CID:

10533034

Reduced:

N4O7C43H56 (1)

Stoich.:

A4B7C43D56 (1)

Weight, g/mol:

739.26568

ΔHf, kcal/mol:

-233.43

Dipole, Da:

6.89

IP(EA), eV:

 -8.22(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-phenylmethoxy-4-(2,2,2-trichloroethoxycarbonyloxy)oxan-3-yl]amino]-1-oxotetradecan-3-yl] butanoate

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C)(CO)O)O)CC)OC)C(=O)OC)O

DOS

IR

Vibrations