Geometry & MOs

Info

ID:	35165
PubChem CID:	7979408
Reduced:	SO2N3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	32.59
Dipole, Da:	4.02
IP(EA), eV:	-9.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=CS2)C#N

DOS

IR

Vibrations