Geometry & MOs

Info

ID:	61557
PubChem CID:	26710440
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	401.120941
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	5.19
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=C(N(N=C2C)C)C)F

DOS

IR

Vibrations