Geometry & MOs

Info

ID:	373132
PubChem CID:	131310516
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	176.074976
ΔH_f, kcal/mol:	-78.94
Dipole, Da:	8.25
IP(EA), eV:	-9.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-fluoroanilino)but-2-enenitrile

Drug info:

PubChemData

Smile

C1C(S(=O)(=O)C2=CC=CC(=C21)O)CCC#N

DOS

IR

Vibrations