Geometry & MOs

Info

ID:	332643
PubChem CID:	127250929
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	417.127089
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	3.56
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-[4-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidin-5-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)C(C)(C)OC4=CC=CC(=C4)C

DOS

IR

Vibrations