Geometry & MOs

Info

ID:	142714
PubChem CID:	53080378
Reduced:	BrON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	449.087927
ΔH_f, kcal/mol:	33.86
Dipole, Da:	3.91
IP(EA), eV:	-9.0(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-2-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzothiazole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CN=C(N=C2C)C3=CC=CC=C3)Br

DOS

IR

Vibrations