Geometry & MOs

Info

ID:	175590
PubChem CID:	75925361
Reduced:	FO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-70.36
Dipole, Da:	3.93
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-oxo-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC4=NN(C=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations