Geometry & MOs

Info

ID:

417081

PubChem CID:

135091289

Reduced:

FO2N3C12H14 (1)

Stoich.:

AB2C3D12E14 (1)

Weight, g/mol:

697.325768

ΔHf, kcal/mol:

-102.21

Dipole, Da:

4.53

IP(EA), eV:

 -9.54(-1.31)

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-(2-methyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CN1CC(CCC1=O)NC(=O)C2=CC(=CN=C2)F

DOS

IR

Vibrations