Geometry & MOs

Info

ID:

230619

PubChem CID:

87571495

Reduced:

N7O8C30H43 (1)

Stoich.:

A7B8C30D43 (1)

Weight, g/mol:

1246.919844

ΔHf, kcal/mol:

-234.14

Dipole, Da:

11.78

IP(EA), eV:

 -8.13(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[(2R)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1C(=O)NC2=O)C(=C(C(=C3/C(=N/NCCCCCO)/N)NCCCCCO)C(=O)O)C(=O)NNCCCCCO

DOS

IR

Vibrations