Geometry & MOs

Info

ID:	271075
PubChem CID:	103642809
Reduced:	SN4O5C10H14 (1)
Stoich.:	AB4C5D10E14 (1)
Weight, g/mol:	315.017747
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	4.41
IP(EA), eV:	-10.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2,6-dichlorophenoxy)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations