Geometry & MOs

Info

ID:

160872

PubChem CID:

57390068

Reduced:

FS2N3O5C21H22 (1)

Stoich.:

AB2C3D5E21F22 (1)

Weight, g/mol:

721.282172

ΔHf, kcal/mol:

-169.6

Dipole, Da:

5.11

IP(EA), eV:

 -8.89(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N4C(=O)C5=C(S4)C=CC(=C5)F

DOS

IR

Vibrations