Geometry & MOs

Info

ID:	45674
PubChem CID:	10516411
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	273.055656
ΔH_f, kcal/mol:	8.48
Dipole, Da:	2.51
IP(EA), eV:	-8.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)[S@](=O)CC2=CC=CC=C2)N

DOS

IR

Vibrations