Geometry & MOs

Info

ID:

321061

PubChem CID:

126664607

Reduced:

SN4F5O5C32H35 (1)

Stoich.:

AB4C5D5E32F35 (1)

Weight, g/mol:

621.255182

ΔHf, kcal/mol:

-383.23

Dipole, Da:

1.36

IP(EA), eV:

 -8.3(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CN(C(CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@H](C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)F)NC(=O)O)S(C1)(O)O

DOS

IR

Vibrations