Geometry & MOs

Info

ID:	195242
PubChem CID:	78663319
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	272.043105
ΔH_f, kcal/mol:	82.81
Dipole, Da:	1.9
IP(EA), eV:	-8.98(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC)C3=CC=CC=C3

DOS

IR

Vibrations