Geometry & MOs

Info

ID:	303294
PubChem CID:	124489474
Reduced:	FSN2O4H11C12 (1)
Stoich.:	ABC2D4E11F12 (1)
Weight, g/mol:	283.079076
ΔH_f, kcal/mol:	-155.89
Dipole, Da:	8.38
IP(EA), eV:	-10.6(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations