Geometry & MOs

Info

ID:

414910

PubChem CID:

135087882

Reduced:

FSN3O4C16H20 (1)

Stoich.:

ABC3D4E16F20 (1)

Weight, g/mol:

690.317726

ΔHf, kcal/mol:

-169.59

Dipole, Da:

5.72

IP(EA), eV:

 -8.96(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,4R,7R,13S,19R,23S)-13-benzyl-23-hydroxy-4-(2-methylpropyl)-3,6,12,15-tetraoxo-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-17-carbonyl]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC3=C(N2)C=CC(=C3)F

DOS

IR

Vibrations