Geometry & MOs

Info

ID:	129419
PubChem CID:	51072529
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	4.14
IP(EA), eV:	-8.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C=C3

DOS

IR

Vibrations