Geometry & MOs

Info

ID:	208584
PubChem CID:	80549278
Reduced:	NO2C15H29 (1)
Stoich.:	AB2C15D29 (1)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	0.71
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfinylbenzoic acid

Drug info:

PubChemData

Smile

CCC(CC)N(C/C=C/C(=O)OCC)CC(C)C

DOS

IR

Vibrations