Geometry & MOs

Info

ID:	414643
PubChem CID:	135087602
Reduced:	Cl2N2S2O3C14H14 (1)
Stoich.:	A2B2C2D3E14F14 (1)
Weight, g/mol:	403.154349
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	4.97
IP(EA), eV:	-9.85(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NS(=O)(=O)C2=CC(=C(S2)Cl)Cl)CC3=CC=NC=C3

DOS

IR

Vibrations