Geometry & MOs

Info

ID:	140093
PubChem CID:	52646002
Reduced:	FSO2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	408.08116
ΔH_f, kcal/mol:	-51.59
Dipole, Da:	4.95
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CS1)C(=O)C2=NN(C(=O)CC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations