Geometry & MOs

Info

ID:	121024
PubChem CID:	50753609
Reduced:	ClFNS3O4H15C18 (1)
Stoich.:	ABCD3E4F15G18 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	4.44
IP(EA), eV:	-9.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)Cl

DOS

IR

Vibrations