Geometry & MOs

Info

ID:	139112
PubChem CID:	52475570
Reduced:	ClSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	363.080826
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	7.42
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@@H]1C(=O)N=C2N(C=CS2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations