Geometry & MOs

Info

ID:	30455
PubChem CID:	841356
Reduced:	ClFOSN2H10C13 (1)
Stoich.:	ABCDE2F10G13 (1)
Weight, g/mol:	246.07777
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	4.03
IP(EA), eV:	-9.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NN=CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations