Geometry & MOs

Info

ID:	298721
PubChem CID:	117654546
Reduced:	SO5C27H28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	-131.4
Dipole, Da:	6.73
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C2=CC=CC(=C2)COC3=CC=C(C=C3)C4(COC4)OCC(=O)O

DOS

IR

Vibrations