Geometry & MOs

Info

ID:	45599
PubChem CID:	10515402
Reduced:	ClN2O5H7C9 (1)
Stoich.:	AB2C5D7E9 (1)
Weight, g/mol:	257.92626
ΔH_f, kcal/mol:	-13.53
Dipole, Da:	7.38
IP(EA), eV:	-10.06(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-4-fluoro-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C(/[N+](=O)[O-])\Cl)[N+](=O)[O-]

DOS

IR

Vibrations