Geometry & MOs

Info

ID:	410968
PubChem CID:	135083772
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	251.052861
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	2.0
IP(EA), eV:	-10.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3-fluoro-5-methylanilino)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

CCCCCC/C=C/C(=O)N1CCOC1=O

DOS

IR

Vibrations