Geometry & MOs

Info

ID:	150856
PubChem CID:	53790553
Reduced:	BrSO2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	4.24
IP(EA), eV:	-9.23(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-(3-phenylbutan-2-yloxy)propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=C2C(=O)O)S)Br

DOS

IR

Vibrations