Geometry & MOs

Info

ID:	130672
PubChem CID:	51091976
Reduced:	F3O3N4C12H19 (1)
Stoich.:	A3B3C4D12E19 (1)
Weight, g/mol:	343.096618
ΔH_f, kcal/mol:	-307.77
Dipole, Da:	7.11
IP(EA), eV:	-9.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CN1CCCC1C(=O)NCC(F)(F)F

DOS

IR

Vibrations