Geometry & MOs

Info

ID:	414852
PubChem CID:	135087824
Reduced:	ClN2S2O4C14H19 (1)
Stoich.:	AB2C2D4E14F19 (1)
Weight, g/mol:	352.133554
ΔH_f, kcal/mol:	-146.0
Dipole, Da:	5.6
IP(EA), eV:	-9.69(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)O

DOS

IR

Vibrations