Geometry & MOs

Info

ID:	140275
PubChem CID:	52673127
Reduced:	SF2N3O3C17H21 (1)
Stoich.:	AB2C3D3E17F21 (1)
Weight, g/mol:	451.221954
ΔH_f, kcal/mol:	-150.16
Dipole, Da:	3.17
IP(EA), eV:	-8.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethyl-5-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2-methyl-1H-pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)[C@@H](C)C3=C(C=CC=C3F)F

DOS

IR

Vibrations