Geometry & MOs

Info

ID:	196616
PubChem CID:	78854260
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	7.71
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NCCCO

DOS

IR

Vibrations