Geometry & MOs

Info

ID:	141428
PubChem CID:	52876822
Reduced:	ClON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	414.09689
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	4.76
IP(EA), eV:	-8.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)C(=O)N3CCC[C@@H]3CC4=CC=CC=C4Cl

DOS

IR

Vibrations