Geometry & MOs

Info

ID:

321088

PubChem CID:

126664694

Reduced:

SO4N6C19H20 (1)

Stoich.:

AB4C6D19E20 (1)

Weight, g/mol:

648.202954

ΔHf, kcal/mol:

-60.13

Dipole, Da:

11.1

IP(EA), eV:

 -8.76(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S)-1-(3,5-difluorophenyl)-3-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluoroanilino]-1-(4-fluorophenyl)-3-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CS(C[C@H]([C@H]1NC(=O)O)NC2=CN=C(C(=N2)C3=CC4=CC=CC=C4N3)C#N)(O)O

DOS

IR

Vibrations