Geometry & MOs

Info

ID:

325888

PubChem CID:

126685444

Reduced:

ClSF3O3N4C31H38 (1)

Stoich.:

ABC3D3E4F31G38 (1)

Weight, g/mol:

700.280982

ΔHf, kcal/mol:

-202.49

Dipole, Da:

11.21

IP(EA), eV:

 -9.26(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (6R,9S)-9-[2-[2-[[(2S,3R)-2-azido-3-(4-chlorophenyl)-3-(oxan-4-yl)propanoyl]amino]phenyl]ethyl]-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate

Drug info:

PubChemData

Smile

C#CC1CCCS(=O)(=O)NC(CN1)CCC2=C(C=CC=C2F)NC(=O)[C@H](C(C3CCC(CC3)(F)F)C4=CC=C(C=C4)Cl)N

DOS

IR

Vibrations