Geometry & MOs

Info

ID:	179334
PubChem CID:	76468689
Reduced:	N4O4C25H32 (1)
Stoich.:	A4B4C25D32 (1)
Weight, g/mol:	506.124704
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	9.91
IP(EA), eV:	-8.76(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylphenoxy)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOCC1CCN(CC1)C(=O)C2C=C3C(=NC(=O)C4=C3N(N=C4)C5CCOCC5)C=C2C

DOS

IR

Vibrations