Geometry & MOs

Info

ID:	128820
PubChem CID:	51059570
Reduced:	NF3O8H16C22 (1)
Stoich.:	AB3C8D16E22 (1)
Weight, g/mol:	346.025957
ΔH_f, kcal/mol:	-369.89
Dipole, Da:	4.67
IP(EA), eV:	-8.72(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-nitrophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

COC1=C2C(=C(C3=C1C(=O)C=C(O3)CC(=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F)OC)OCO2

DOS

IR

Vibrations