Geometry & MOs

Info

ID:	208699
PubChem CID:	80568145
Reduced:	SN2O4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	281.094646
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	5.72
IP(EA), eV:	-9.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)NC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations