Geometry & MOs

Info

ID:

321083

PubChem CID:

126664653

Reduced:

SO3N6C18H22 (1)

Stoich.:

AB3C6D18E22 (1)

Weight, g/mol:

730.256052

ΔHf, kcal/mol:

-48.39

Dipole, Da:

4.97

IP(EA), eV:

 -8.65(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (6R,9S)-9-[2-[2-[[(2S,3S)-2-azido-3-(3,5-difluorophenyl)-3-(4-fluorophenyl)propanoyl]amino]-6-fluorophenyl]ethyl]-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations