Geometry & MOs

Info

ID:	63516
PubChem CID:	26758534
Reduced:	SF2N2O3H8C14 (1)
Stoich.:	AB2C2D3E8F14 (1)
Weight, g/mol:	398.164185
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	2.44
IP(EA), eV:	-9.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(=O)OCC2=NC(=NO2)C3=CSC=C3

DOS

IR

Vibrations