Geometry & MOs

Info

ID:

422111

PubChem CID:

135117223

Reduced:

NF3O4C14H22 (1)

Stoich.:

AB3C4D14E22 (1)

Weight, g/mol:

715.309639

ΔHf, kcal/mol:

-378.98

Dipole, Da:

3.81

IP(EA), eV:

 -9.72(0.69)

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]-3-(3-chloro-1,2-oxazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)CCC(F)(F)F)OC[C@@H]1O)O

DOS

IR

Vibrations