Geometry & MOs

Info

ID:

321010

PubChem CID:

126664407

Reduced:

ClSO3F4N5C30H32 (1)

Stoich.:

ABC3D4E5F30G32 (1)

Weight, g/mol:

345.172228

ΔHf, kcal/mol:

-238.3

Dipole, Da:

9.63

IP(EA), eV:

 -9.4(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-[(1R,2S)-2-aminocyclopentyl]ethyl]-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations