Geometry & MOs

Info

ID:	143407
PubChem CID:	53204941
Reduced:	SF3N4O4H19C21 (1)
Stoich.:	AB3C4D4E19F21 (1)
Weight, g/mol:	483.168873
ΔH_f, kcal/mol:	-210.4
Dipole, Da:	3.89
IP(EA), eV:	-9.46(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)N3CCCC3)S(=O)(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations