Geometry & MOs

Info

ID:	321502
PubChem CID:	126666448
Reduced:	NC18H25 (1)
Stoich.:	AB18C25 (1)
Weight, g/mol:	411.15291
ΔH_f, kcal/mol:	-8.39
Dipole, Da:	1.48
IP(EA), eV:	-7.65(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azetidin-1-yl)-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=C(C2=C(C(=C(C=C2)C)C)C(=C1C)C)N

DOS

IR

Vibrations