Geometry & MOs

Info

ID:	209238
PubChem CID:	80641607
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	225.012746
ΔH_f, kcal/mol:	-34.12
Dipole, Da:	4.28
IP(EA), eV:	-7.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorothiophen-2-yl)-5-cyclopropyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)Cl)N

DOS

IR

Vibrations