Geometry & MOs

Info

ID:

320999

PubChem CID:

126664382

Reduced:

N2O2C19H24 (1)

Stoich.:

A2B2C19D24 (1)

Weight, g/mol:

594.207897

ΔHf, kcal/mol:

-47.15

Dipole, Da:

4.6

IP(EA), eV:

 -8.93(-0.04)

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-methyl-1-oxopentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN[C@@H](CC1=CC=CC=C1)C(=O)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations