Geometry & MOs

Info

ID:	89615
PubChem CID:	49963096
Reduced:	SO2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	259.040006
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	1.05
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzoxazol-2-yl-(3-chlorophenyl)methanol

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(O1)C(C2=CC=C(C=C2)SC)O

DOS

IR

Vibrations