Geometry & MOs

Info

ID:	434265
PubChem CID:	135174557
Reduced:	NSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	261.067094
ΔH_f, kcal/mol:	-156.96
Dipole, Da:	8.96
IP(EA), eV:	-10.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-2,2-dioxo-2lambda6-thia-6-azabicyclo[3.2.0]heptane-3,7-dione

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)[C@@]2(C1NC2=O)[C@H](C(C)C)O)C

DOS

IR

Vibrations