Geometry & MOs

Info

ID:	344013
PubChem CID:	127267189
Reduced:	FSN4O4C13H15 (1)
Stoich.:	ABC4D4E13F15 (1)
Weight, g/mol:	323.050668
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	9.98
IP(EA), eV:	-9.22(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(6-chloro-2-fluoropyridin-3-yl)sulfonyl-3,3-dimethylbutanehydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)S(=O)(=O)NC2=NN(C=C2)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations