Geometry & MOs

Info

ID:	243479
PubChem CID:	99224284
Reduced:	BrClS2N3O4C13H19 (1)
Stoich.:	ABC2D3E4F13G19 (1)
Weight, g/mol:	476.152969
ΔH_f, kcal/mol:	-137.25
Dipole, Da:	7.76
IP(EA), eV:	-8.85(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-methoxy-N-methyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CCNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations