Geometry & MOs

Info

ID:	78809
PubChem CID:	49733147
Reduced:	SF2O2N4C18H18 (1)
Stoich.:	AB2C2D4E18F18 (1)
Weight, g/mol:	369.132254
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	2.98
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations