Geometry & MOs

Info

ID:	300220
PubChem CID:	121269874
Reduced:	SF3N3H6C10 (1)
Stoich.:	AB3C3D6E10 (1)
Weight, g/mol:	245.964
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	5.7
IP(EA), eV:	-9.52(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(6-bromopyridin-3-yl)-N-hydroxycarbamate

Drug info:

PubChemData

Smile

CS(=NC#N)C1=C(C(=C(C=C1)F)C(F)F)C#N

DOS

IR

Vibrations