Geometry & MOs

Info

ID:	268836
PubChem CID:	103601178
Reduced:	SO2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	318.06193
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	2.36
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[(4-butan-2-ylphenoxy)methyl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)SCC2=CC=CC=C2C

DOS

IR

Vibrations