Geometry & MOs

Info

ID:

422199

PubChem CID:

135117386

Reduced:

SF2N2O2C18H20 (1)

Stoich.:

AB2C2D2E18F20 (1)

Weight, g/mol:

726.31439

ΔHf, kcal/mol:

-148.42

Dipole, Da:

3.76

IP(EA), eV:

 -9.09(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2-(4-chlorophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C(F)F)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations