Geometry & MOs

Info

ID:	382099
PubChem CID:	134973031
Reduced:	O4C8H11 (2)
Stoich.:	A4B8C11 (2)
Weight, g/mol:	374.05513
ΔH_f, kcal/mol:	-323.2
Dipole, Da:	4.47
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-1-phenylsulfanylperoxybutyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@]23C[C@H](C(C(O2)C(O3)[C@@H](CO)O)O)O)OC

DOS

IR

Vibrations