Geometry & MOs

Info

ID:	373368
PubChem CID:	131314329
Reduced:	BrClSF2H2N2O4C6 (1)
Stoich.:	ABCD2E2F2G4H6 (1)
Weight, g/mol:	349.85752
ΔH_f, kcal/mol:	-141.46
Dipole, Da:	1.17
IP(EA), eV:	-11.47(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1S(=O)(=O)Cl)Br)[N+](=O)[O-])C(F)F

DOS

IR

Vibrations