Geometry & MOs

Info

ID:

325869

PubChem CID:

126685353

Reduced:

FSN4O4C31H43 (1)

Stoich.:

ABC4D4E31F43 (1)

Weight, g/mol:

596.264411

ΔHf, kcal/mol:

-168.54

Dipole, Da:

3.33

IP(EA), eV:

 -9.03(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-[2-[(9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]-6-fluoro-3-(4-fluorophenyl)-3-(methoxymethyl)hexanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@H](O1)C)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=CC=CC=C3CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)N

DOS

IR

Vibrations