Geometry & MOs

Info

ID:	370744
PubChem CID:	127340103
Reduced:	O2F3N4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-194.49
Dipole, Da:	2.15
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(F)(F)F)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations