Geometry & MOs

Info

ID:	140594
PubChem CID:	52726960
Reduced:	OSF2N4H16C17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	398.000717
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	6.59
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,3-dichlorophenoxy)methyl]-1-(4-methylsulfonylphenyl)tetrazole

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)F)SC2=NN=C(N2N)C3=CC=CC=C3OC

DOS

IR

Vibrations