Geometry & MOs

Info

ID:

423930

PubChem CID:

135120790

Reduced:

ON3C17H23 (1)

Stoich.:

AB3C17D23 (1)

Weight, g/mol:

618.298882

ΔHf, kcal/mol:

-0.66

Dipole, Da:

1.68

IP(EA), eV:

 -8.85(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,4-trifluoro-N-[(1S,4S,7S,9S,13R,16R,19S)-13-[(1R)-1-hydroxyethyl]-4-methyl-3,6,12,15,18-pentaoxo-16-propan-2-yl-2,5,11,14,17-pentazatricyclo[17.3.0.07,11]docosan-9-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)CC(C)N(C)CC2=NC=CC(=C2)OC

DOS

IR

Vibrations