Geometry & MOs

Info

ID:	78808
PubChem CID:	49733146
Reduced:	SF2O2N4C19H20 (1)
Stoich.:	AB2C2D4E19F20 (1)
Weight, g/mol:	392.111853
ΔH_f, kcal/mol:	-105.54
Dipole, Da:	2.86
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)N2CCC(CC2)OC3=NC4=C(C=C(C=C4S3)F)F

DOS

IR

Vibrations