Geometry & MOs

Info

ID:	407058
PubChem CID:	135079222
Reduced:	BrNO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	267.047776
ΔH_f, kcal/mol:	9.76
Dipole, Da:	4.88
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C#[N+][O-])Br

DOS

IR

Vibrations