Geometry & MOs

Info

ID:	56072
PubChem CID:	17404216
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	376.95821
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	0.7
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromofuran-2-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NCC4(CCCCC4)N5CCOCC5

DOS

IR

Vibrations