Geometry & MOs

Info

ID:	31664
PubChem CID:	855994
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	205.059974
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	5.51
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-4-nitrophenyl)tetrazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)O

DOS

IR

Vibrations