Geometry & MOs

Info

ID:	54546
PubChem CID:	17388871
Reduced:	BrOSN3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	294.082684
ΔH_f, kcal/mol:	106.55
Dipole, Da:	3.9
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-(4-prop-2-ynoxyphenyl)-2,3-dihydro-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(S2)C3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Br

DOS

IR

Vibrations