Geometry & MOs

Info

ID:	251915
PubChem CID:	103107828
Reduced:	SO3N6H10C11 (1)
Stoich.:	AB3C6D10E11 (1)
Weight, g/mol:	283.128054
ΔH_f, kcal/mol:	6.74
Dipole, Da:	3.68
IP(EA), eV:	-9.8(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(butylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CN3C=C(N=N3)C(=O)OC

DOS

IR

Vibrations