Geometry & MOs

Info

ID:	344011
PubChem CID:	127267187
Reduced:	FSN3O5C13H18 (1)
Stoich.:	ABC3D5E13F18 (1)
Weight, g/mol:	345.07947
ΔH_f, kcal/mol:	-153.55
Dipole, Da:	7.29
IP(EA), eV:	-9.31(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-fluoro-4-methyl-2-nitrophenyl)sulfonylcyclopentanecarbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)S(=O)(=O)NNC(=O)CC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations