Geometry & MOs

Info

ID:	32833
PubChem CID:	7848761
Reduced:	N2S2O4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	372.115521
ΔH_f, kcal/mol:	-106.72
Dipole, Da:	6.68
IP(EA), eV:	-8.78(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations