Geometry & MOs

Info

ID:	132058
PubChem CID:	51300853
Reduced:	SF3N6H13C17 (1)
Stoich.:	AB3C6D13E17 (1)
Weight, g/mol:	306.093918
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	8.82
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NN3C(=NN=C3C(F)(F)F)C=C2)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations