Geometry & MOs

Info

ID:	373367
PubChem CID:	131314327
Reduced:	BrClSF2H2N2O4C6 (1)
Stoich.:	ABCD2E2F2G4H6 (1)
Weight, g/mol:	349.85752
ΔH_f, kcal/mol:	-138.89
Dipole, Da:	4.8
IP(EA), eV:	-11.38(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1C(F)F)Br)S(=O)(=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations