Geometry & MOs

Info

ID:	194257
PubChem CID:	78504484
Reduced:	O2N3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	387.090035
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	15.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834807
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)-2-oxoethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=O)C(=CNC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3)C=C1

DOS

IR

Vibrations