Geometry & MOs

Info

ID:

325865

PubChem CID:

126685337

Reduced:

ClSN3O3C13H14 (1)

Stoich.:

ABC3D3E13F14 (1)

Weight, g/mol:

662.294963

ΔHf, kcal/mol:

-88.1

Dipole, Da:

5.3

IP(EA), eV:

 -9.24(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R,2S)-1-[(2R,6R)-2,6-dimethyloxan-4-yl]-3-[2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-1-(4-fluorophenyl)-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=C(C=NC(=O)N2)Cl

DOS

IR

Vibrations