Geometry & MOs

Info

ID:	318917
PubChem CID:	126653718
Reduced:	BrNSO2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	318.128966
ΔH_f, kcal/mol:	0.92
Dipole, Da:	7.06
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-oxo-4-(4-pentylsulfanylphenyl)cyclopenten-1-yl] acetate

Drug info:

PubChemData

Smile

C1CSC2=CC(=NC=C21)C3=CC(=O)C4CC(=CC=C4O3)Br

DOS

IR

Vibrations