Geometry & MOs

Info

ID:	139828
PubChem CID:	52603476
Reduced:	ClFSO3N5H15C20 (1)
Stoich.:	ABCD3E5F15G20 (1)
Weight, g/mol:	268.026626
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	6.43
IP(EA), eV:	-9.06(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-2-oxoethyl) 3-(tetrazol-1-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)COC(=O)C3=C(C=CS3)N4C=NN=N4

DOS

IR

Vibrations