Geometry & MOs

Info

ID:

409259

PubChem CID:

135082039

Reduced:

NOLi2H15C16 (1)

Stoich.:

ABC2D15E16 (1)

Weight, g/mol:

896.587445

ΔHf, kcal/mol:

-18.66

Dipole, Da:

8.56

IP(EA), eV:

 -7.49(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R)-N-[(3R)-3-[4-[(E)-3-[(2R,7R,8R,9S)-2-[(2R,4R,5R,6S,7S,8E,10E,12E,14Z)-15-cyano-4,6-dihydroxy-5,7,9,10,14-pentamethylpentadeca-8,10,12,14-tetraen-2-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]prop-1-enyl]-1,3-oxazol-2-yl]butyl]-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanamide

Drug info:

PubChemData

Smile

[Li+].[Li+].CC(C)(C1=CC=CC=C1)N=C(C2=CC=CC=[C-]2)[O-]

DOS

IR

Vibrations