Geometry & MOs

Info

ID:	54547
PubChem CID:	17388872
Reduced:	OSN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	371.9932
ΔH_f, kcal/mol:	102.47
Dipole, Da:	3.01
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCOC1=CC=C(C=C1)C2NN=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations