Geometry & MOs

Info

ID:

81398

PubChem CID:

49854682

Reduced:

S2F3O3N5C20H24 (1)

Stoich.:

A2B3C3D5E20F24 (1)

Weight, g/mol:

487.278132

ΔHf, kcal/mol:

-239.63

Dipole, Da:

5.25

IP(EA), eV:

 -8.7(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S)-5-(dimethylamino)-6,6-dimethyl-2-[(1S,4S,5R,8S,9R,12R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC(C)(C1=NC2=C(S1)CCC3=C2SC(=N3)NC(=O)N4CC[C@H]([C@H]4C(=O)N)COC)C(F)(F)F

DOS

IR

Vibrations