Geometry & MOs

Info

ID:	202574
PubChem CID:	79689978
Reduced:	ClFN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	271.94191
ΔH_f, kcal/mol:	-9.22
Dipole, Da:	2.05
IP(EA), eV:	-9.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1Cl)C2=CC(=CC(=C2)C)F

DOS

IR

Vibrations