Geometry & MOs

Info

ID:	246783
PubChem CID:	103064884
Reduced:	SN2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	203.028396
ΔH_f, kcal/mol:	1.27
Dipole, Da:	3.26
IP(EA), eV:	-8.47(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methyl-4-(thiolan-3-yl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=NC1CCSC1)N

DOS

IR

Vibrations