Geometry & MOs

Info

ID:	139829
PubChem CID:	52603477
Reduced:	SN4O4H8C9 (1)
Stoich.:	AB4C4D8E9 (1)
Weight, g/mol:	235.016396
ΔH_f, kcal/mol:	-50.95
Dipole, Da:	7.81
IP(EA), eV:	-9.74(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanomethyl 3-(tetrazol-1-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)COC(=O)C1=C(C=CS1)N2C=NN=N2

DOS

IR

Vibrations