Geometry & MOs

Info

ID:	372594
PubChem CID:	131300445
Reduced:	NOF3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	190.052447
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	5.38
IP(EA), eV:	-9.13(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyanomethylamino)azetidine-1-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[C@@H](NC2)C(F)(F)F

DOS

IR

Vibrations