Geometry & MOs

Info

ID:	208965
PubChem CID:	80607839
Reduced:	ClFOSN3C12H13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	456.79177
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	4.56
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[(2,4,6-tribromophenoxy)methyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)COC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations