Geometry & MOs

Info

ID:

323890

PubChem CID:

126676463

Reduced:

F2O4N5H27C28 (1)

Stoich.:

A2B4C5D27E28 (1)

Weight, g/mol:

708.426214

ΔHf, kcal/mol:

-161.01

Dipole, Da:

7.45

IP(EA), eV:

 -8.72(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,9S,10R,14R,15S,19S)-15-[(2R,5S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4-[5-(4-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3-hydroxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dione

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)C#N)NC=O

DOS

IR

Vibrations