Geometry & MOs

Info

ID:	372297
PubChem CID:	131295799
Reduced:	INF2O3H6C9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	5.26
IP(EA), eV:	-10.38(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-amino-3-methyl-1,2-benzothiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1C(F)F)[N+](=O)[O-])I

DOS

IR

Vibrations