Geometry & MOs

Info

ID:	332657
PubChem CID:	127250943
Reduced:	FSO3N5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	3.63
IP(EA), eV:	-9.63(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-[4-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-3-yl]pyrimidin-5-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)S(=O)(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations