Geometry & MOs

Info

ID:	303295
PubChem CID:	124489475
Reduced:	FSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	283.079076
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	3.94
IP(EA), eV:	-9.71(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations