Geometry & MOs

Info

ID:	360488
PubChem CID:	127301133
Reduced:	SO3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	374.152495
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	9.56
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=C(N4CCSC4=N3)C#N

DOS

IR

Vibrations