Geometry & MOs

Info

ID:	224668
PubChem CID:	85345807
Reduced:	O5H18C19 (1)
Stoich.:	A5B18C19 (1)
Weight, g/mol:	326.034
ΔH_f, kcal/mol:	-144.94
Dipole, Da:	3.93
IP(EA), eV:	-9.39(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(2-tert-butylsulfinylcyclopent-2-en-1-yl)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C3C(C(=O)O2)OC(O3)C4=CC=CC=C4

DOS

IR

Vibrations