Geometry & MOs

Info

ID:	285067
PubChem CID:	104095343
Reduced:	SN2O2C7H14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	173.062283
ΔH_f, kcal/mol:	-83.01
Dipole, Da:	4.21
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=S)N)OC

DOS

IR

Vibrations