Geometry & MOs

Info

ID:	407523
PubChem CID:	135080269
Reduced:	ClSN2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	207.059209
ΔH_f, kcal/mol:	64.83
Dipole, Da:	3.91
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)Cl)SC2=CC=CC=C2

DOS

IR

Vibrations