Geometry & MOs

Info

ID:	153829
PubChem CID:	56313147
Reduced:	NF3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	384.130777
ΔH_f, kcal/mol:	-225.6
Dipole, Da:	6.7
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=C(C(=CC=C1)OC)OC(F)F)C2=CC=CC=C2F

DOS

IR

Vibrations