Geometry & MOs

Info

ID:	183131
PubChem CID:	76981928
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	325.02879
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	2.66
IP(EA), eV:	-9.52(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC=CC(=O)N1CCC(C1)C(=O)O

DOS

IR

Vibrations