Geometry & MOs

Info

ID:	344012
PubChem CID:	127267188
Reduced:	FSN3O5C13H16 (1)
Stoich.:	ABC3D5E13F16 (1)
Weight, g/mol:	342.079804
ΔH_f, kcal/mol:	-141.71
Dipole, Da:	6.86
IP(EA), eV:	-9.46(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methyl-2-nitro-N-(1-propan-2-ylpyrazol-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)S(=O)(=O)NNC(=O)C2CCCC2)[N+](=O)[O-]

DOS

IR

Vibrations