Geometry & MOs

Info

ID:	444419
PubChem CID:	135262357
Reduced:	SN2F3O4C28H29 (1)
Stoich.:	AB2C3D4E28F29 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-246.56
Dipole, Da:	4.46
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(C3=CC=CC=C3)(C(F)(F)F)N4CCOCC4)S(=O)O

DOS

IR

Vibrations