Geometry & MOs

Info

ID:	77730
PubChem CID:	49658775
Reduced:	BrSN5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	411.134282
ΔH_f, kcal/mol:	119.0
Dipole, Da:	6.03
IP(EA), eV:	-8.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CSC(=N2)C3=C(N(N=N3)C4=CC=CC=C4Br)N)C

DOS

IR

Vibrations