Geometry & MOs

Info

ID:	73498
PubChem CID:	48417926
Reduced:	SF2O2N3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	1.26
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-5-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=C(C=C2)OC(F)F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations