Geometry & MOs

Info

ID:

45272

PubChem CID:

10510435

Reduced:

N7O13C61H91 (1)

Stoich.:

A7B13C61D91 (1)

Weight, g/mol:

1135.474947

ΔHf, kcal/mol:

-611.46

Dipole, Da:

11.32

IP(EA), eV:

 -8.61(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6R)-6-[3-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxypropoxy]-5-(1,3-dioxoisoindol-2-yl)-2-(hydroxymethyl)-4-(4-methylbenzoyl)oxyoxan-3-yl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3CC4=CC=CC=C4)C)CC5=CC=C(C=C5)OC)C)CC(C)C)C)C(C)C)O

DOS

IR

Vibrations