Geometry & MOs

Info

ID:

321012

PubChem CID:

126664422

Reduced:

SF2O3N4C33H38 (1)

Stoich.:

AB2C3D4E33F38 (1)

Weight, g/mol:

732.28721

ΔHf, kcal/mol:

-130.44

Dipole, Da:

9.19

IP(EA), eV:

 -9.22(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 9-[2-[2-[[(2S)-2-azido-2-[1-(4-chlorophenyl)-4-methoxycyclohexyl]acetyl]amino]-6-fluorophenyl]ethyl]-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate

Drug info:

PubChemData

Smile

C1CC2CN(C(CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@@H](C4=CC=C(C=C4)F)C5=CC6=C(CCC6)C=C5)N)S(=O)(=O)C1

DOS

IR

Vibrations