Geometry & MOs

Info

ID:	133137
PubChem CID:	51483391
Reduced:	SO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	429.152241
ΔH_f, kcal/mol:	31.82
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942817
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(4-fluorophenoxy)propyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-2,3-dihydroindole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(N2CC(=O)NCCCOC3=CC=CC=C3)[S-]

DOS

IR

Vibrations