Geometry & MOs

Info

ID:	392284
PubChem CID:	135014115
Reduced:	BrOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	338.99286
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	3.17
IP(EA), eV:	-9.37(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-phenylsulfanyl-1,3-oxazol-5-yl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

C[C@@H](COCC1=CC=CC=C1)/C=C/CBr

DOS

IR

Vibrations