Geometry & MOs

Info

ID:	121343
PubChem CID:	50764389
Reduced:	FSN3O6H20C23 (1)
Stoich.:	ABC3D6E20F23 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-161.39
Dipole, Da:	10.1
IP(EA), eV:	-9.04(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=O)N3C(=N2)C=C(O3)C)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations