Geometry & MOs

Info

ID:	305786
PubChem CID:	124969051
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	421.102017
ΔH_f, kcal/mol:	-6.88
Dipole, Da:	5.23
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3CCO[C@@H](C3)C4=CC(=NC=C4)C

DOS

IR

Vibrations