Geometry & MOs

Info

ID:	375088
PubChem CID:	131465889
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	209.025898
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	3.48
IP(EA), eV:	-9.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-amino-1,2,3-benzothiadiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C#N)C(C1=CC(=C(C=C1)F)OC)O

DOS

IR

Vibrations