Geometry & MOs

Info

ID:	83485
PubChem CID:	49857648
Reduced:	BrNSO4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	278.070972
ΔH_f, kcal/mol:	-97.46
Dipole, Da:	7.16
IP(EA), eV:	-9.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenoxy)-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)Br)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations