Geometry & MOs

Info

ID:	390865
PubChem CID:	135001328
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	418.136257
ΔH_f, kcal/mol:	-132.82
Dipole, Da:	4.5
IP(EA), eV:	-9.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-fluoro-2-[(4-methoxyphenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C=N1)/C=C/C(=O)OC

DOS

IR

Vibrations