Geometry & MOs

Info

ID:	141645
PubChem CID:	52907669
Reduced:	SO2N7C22H23 (1)
Stoich.:	AB2C7D22E23 (1)
Weight, g/mol:	318.058675
ΔH_f, kcal/mol:	56.3
Dipole, Da:	4.66
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(1,2-oxazol-3-yl)azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN(C3)C4=NN=C(C=C4)N5C=CC=N5

DOS

IR

Vibrations