Geometry & MOs

Info

ID:	68785
PubChem CID:	46509083
Reduced:	FNSO6C22H26 (1)
Stoich.:	ABCD6E22F26 (1)
Weight, g/mol:	415.143116
ΔH_f, kcal/mol:	-259.79
Dipole, Da:	10.6
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)C2=C(C=CC(=C2)F)OC

DOS

IR

Vibrations