Geometry & MOs

Info

ID:	288831
PubChem CID:	104326566
Reduced:	ClFO2N4C12H12 (1)
Stoich.:	ABC2D4E12F12 (1)
Weight, g/mol:	316.96337
ΔH_f, kcal/mol:	-53.31
Dipole, Da:	1.24
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-ethoxy-3-fluorophenyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)Cl)OC)F

DOS

IR

Vibrations