Geometry & MOs

Info

ID:	313511
PubChem CID:	126615200
Reduced:	FNSO2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	196.047048
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	24.16
IP(EA), eV:	-6.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-fluoro-7-methyl-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

CS(C)(C)C1=C(C=C(C=C1)[N+](=O)[O-])F

DOS

IR

Vibrations