Geometry & MOs

Info

ID:	31508
PubChem CID:	855804
Reduced:	OSN5H15C16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	336.984338
ΔH_f, kcal/mol:	64.35
Dipole, Da:	1.76
IP(EA), eV:	-8.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

Drug info:

PubChemData

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C[C@@H](C(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations