Geometry & MOs

Info

ID:	140408
PubChem CID:	52692649
Reduced:	FSO3N4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	458.17879
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	3.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100958
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-4-(methanesulfonamido)-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCCCC1=CC(=NN1)C2=CC=C(C=C2)F)C(=C3C=CC(=NS(=O)(=O)C)C=C3)[O-]

DOS

IR

Vibrations