Geometry & MOs

Info

ID:	373172
PubChem CID:	131311052
Reduced:	O3N5C8H9 (1)
Stoich.:	A3B5C8D9 (1)
Weight, g/mol:	286.957911
ΔH_f, kcal/mol:	19.54
Dipole, Da:	6.76
IP(EA), eV:	-10.61(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CN1C(=O)CC(C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations