Geometry & MOs

Info

ID:	264722
PubChem CID:	103485733
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	345.98744
ΔH_f, kcal/mol:	-149.82
Dipole, Da:	4.24
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-bromophenyl)sulfinyl-4-oxopentanoate

Drug info:

PubChemData

Smile

CCN1C(=O)NN=C1SCC(=O)CCC(=O)OCC

DOS

IR

Vibrations