Geometry & MOs

Info

ID:	317565
PubChem CID:	126643473
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	329.09108
ΔH_f, kcal/mol:	-169.35
Dipole, Da:	3.8
IP(EA), eV:	-8.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-3-(3-fluoro-4-methoxyphenyl)-4-nitrobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC23CCCCC3)C(=O)OC

DOS

IR

Vibrations