Geometry & MOs

Info

ID:

320973

PubChem CID:

126664318

Reduced:

SF2N4O5C34H40 (1)

Stoich.:

AB2C4D5E34F40 (1)

Weight, g/mol:

622.239197

ΔHf, kcal/mol:

-207.29

Dipole, Da:

4.11

IP(EA), eV:

 -8.43(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-3-(4-chlorophenyl)-1-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluoroanilino]-4-ethyl-1-oxohexan-2-yl]carbamic acid

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=CC=CC(=C5)C6CC6)NC(=O)O)S(C1)(O)O

DOS

IR

Vibrations