Geometry & MOs

Info

ID:	205508
PubChem CID:	80114555
Reduced:	NNaSO3C4H4 (1)
Stoich.:	ABCD3E4F4 (1)
Weight, g/mol:	264.107419
ΔH_f, kcal/mol:	-160.76
Dipole, Da:	4.92
IP(EA), eV:	-9.44(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-cyclopropyl-2-(2,3-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C(=C[O-])C#N.[Na+]

DOS

IR

Vibrations