Geometry & MOs

Info

ID:

321025

PubChem CID:

126664467

Reduced:

SF2N4O5C29H38 (1)

Stoich.:

AB2C4D5E29F38 (1)

Weight, g/mol:

605.284732

ΔHf, kcal/mol:

-283.96

Dipole, Da:

4.65

IP(EA), eV:

 -9.13(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-N-[4-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-5-fluoropyridin-3-yl]-3-(4-fluorophenyl)-3-(4-methoxycyclohexyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C1=CC=C(C=C1)F)[C@@H](C(=O)NC2=C(C(=CC=C2)F)CCC3CN[C@@H]4CCCS(=O)(=O)N3C4)NC(=O)O

DOS

IR

Vibrations