Geometry & MOs

Info

ID:	327677
PubChem CID:	126690705
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	0.95
IP(EA), eV:	-9.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-but-3-enyl-N,2-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=C(C(=CN=C1)C2=CC(=NC=C2)NC(=O)C)C

DOS

IR

Vibrations