Geometry & MOs

Info

ID:	318940
PubChem CID:	126653783
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	286.078742
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	2.64
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=NC4=C(S3)CCCC4)CC(=O)O

DOS

IR

Vibrations