Geometry & MOs

Info

ID:	280422
PubChem CID:	103849198
Reduced:	N2S2O5C12H18 (1)
Stoich.:	A2B2C5D12E18 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-185.58
Dipole, Da:	5.76
IP(EA), eV:	-9.45(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CCNS(=O)(=O)C2=CC=CS2)O

DOS

IR

Vibrations