Geometry & MOs

Info

ID:	347120
PubChem CID:	127271624
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	83.97
Dipole, Da:	6.27
IP(EA), eV:	-9.21(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azetidine-1-carbonyl)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)C(C#N)C3=NN=C4N3CCCCC4)NN=C2

DOS

IR

Vibrations