Geometry & MOs

Info

ID:	252536
PubChem CID:	103112087
Reduced:	S2O3N4C10H16 (1)
Stoich.:	A2B3C4D10E16 (1)
Weight, g/mol:	244.099397
ΔH_f, kcal/mol:	-86.21
Dipole, Da:	8.68
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[3-(hydroxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NN=C(S1)SCC(=O)O

DOS

IR

Vibrations