Geometry & MOs

Info

ID:	351245
PubChem CID:	127279803
Reduced:	O2N7C12H17 (1)
Stoich.:	A2B7C12D17 (1)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	42.12
Dipole, Da:	8.33
IP(EA), eV:	-10.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations