Geometry & MOs

Info

ID:	251750
PubChem CID:	103106600
Reduced:	FSN3O3C12H18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	-157.37
Dipole, Da:	7.65
IP(EA), eV:	-9.17(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[2-(methylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=CC(=C(C=C1)N)F

DOS

IR

Vibrations