Geometry & MOs

Info

ID:	251797
PubChem CID:	103107034
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	13.46
Dipole, Da:	4.59
IP(EA), eV:	-9.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=CS2)C3CC3

DOS

IR

Vibrations