Geometry & MOs

Info

ID:	130173
PubChem CID:	51075145
Reduced:	S2N3O4C12H15 (1)
Stoich.:	A2B3C4D12E15 (1)
Weight, g/mol:	344.134068
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	3.98
IP(EA), eV:	-9.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-5-propan-2-yl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CN(CN1C(=O)OC(=N1)C2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations