Geometry & MOs

Info

ID:	141503
PubChem CID:	52885209
Reduced:	ClOF3N7C13H13 (1)
Stoich.:	ABC3D7E13F13 (1)
Weight, g/mol:	311.03512
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	5.94
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-N-(2H-tetrazol-5-yl)furan-2-carboximidate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NNN=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations