Geometry & MOs

Info

ID:	251785
PubChem CID:	103106913
Reduced:	SN3O5C11H17 (1)
Stoich.:	AB3C5D11E17 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-192.63
Dipole, Da:	2.38
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=CNC(=C1)C(=O)O

DOS

IR

Vibrations