Geometry & MOs

Info

ID:	208783
PubChem CID:	80585901
Reduced:	SO2N3C10H19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	240.104482
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	4.46
IP(EA), eV:	-8.66(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-(thiolan-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=NO)N)C(=O)NCC1CCCS1

DOS

IR

Vibrations