Geometry & MOs

Info

ID:	231679
PubChem CID:	87574432
Reduced:	ClSO3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	117.036068
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	3.98
IP(EA), eV:	-10.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methanethiol;2H-triazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)C=O

DOS

IR

Vibrations