Geometry & MOs

Info

ID:

325900

PubChem CID:

126685482

Reduced:

FO3N6C36H43 (1)

Stoich.:

AB3C6D36E43 (1)

Weight, g/mol:

564.314555

ΔHf, kcal/mol:

-70.26

Dipole, Da:

7.82

IP(EA), eV:

 -8.19(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(C1)N3CCN(C(=O)C3=C2)C4=CC(=CC(=C4CO)C5=CN(C(=O)C(=C5)NC(=NC)/C=C\C(=C)[C@H]6CCCN6C)C)F)C

DOS

IR

Vibrations