Geometry & MOs

Info

ID:

320955

PubChem CID:

126664292

Reduced:

NF3O4C19H20 (1)

Stoich.:

AB3C4D19E20 (1)

Weight, g/mol:

596.244425

ΔHf, kcal/mol:

-307.41

Dipole, Da:

4.01

IP(EA), eV:

 -9.92(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4,4-difluoro-1-(4-fluorophenyl)cyclohexyl]-N-[2-[2-[(9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

C1COC(CC1/C=C/C(=O)N2[C@@H](COC2=O)C3=CC=CC=C3)CC(F)(F)F

DOS

IR

Vibrations