Geometry & MOs

Info

ID:	121241
PubChem CID:	50759816
Reduced:	ClSO2N3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	352.133554
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	7.07
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations