Geometry & MOs

Info

ID:	397954
PubChem CID:	135031128
Reduced:	ClNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	348.094392
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	3.36
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(benzenesulfonyl)-2-(2-fluoropyridin-3-yl)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=CC(=CC=C1)Cl)C(=O)N(C)C2=CC=CC=C2

DOS

IR

Vibrations